N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide

C28H40N6O4 — CID 11756570

IUPACN-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
SMILESCC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)NC1(C#N)CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C28H40N6O4/c1-27(2,3)9-8-22(30-24-21-6-4-5-7-23(21)38-26(36)31-24)25(35)32-28(20-29)10-12-33(13-11-28)14-15-34-16-18-37-19-17-34/h4-7,22H,8-19H2,1-3H3,(H,32,35)(H,30,31,36)
InChIKeyULTZQWLGURPUSP-UHFFFAOYSA-N
MW524.67 g/mol
LogP2.60
Rot. Bonds9

About N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide

N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide (PubChem CID 11756570) has the molecular formula C28H40N6O4 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide.

Molecular Properties

Compound NameN-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
PubChem CID11756570
Molecular FormulaC28H40N6O4
Molecular Weight524.67 g/mol
Exact Mass524.31
IUPAC NameN-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
SMILESCC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)NC1(C#N)CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C28H40N6O4/c1-27(2,3)9-8-22(30-24-21-6-4-5-7-23(21)38-26(36)31-24)25(35)32-28(20-29)10-12-33(13-11-28)14-15-34-16-18-37-19-17-34/h4-7,22H,8-19H2,1-3H3,(H,32,35)(H,30,31,36)
InChIKeyULTZQWLGURPUSP-UHFFFAOYSA-N
XLogP2.60
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-cyano-1-(3,3-dimethylbutyl)piperidin-4-yl]-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide
CID 10390478
(2S)-N-(4-cyano-1-pentylpiperidin-4-yl)-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide
CID 59040989
(2S)-N-(4-cyano-1-propylpiperidin-4-yl)-5-methyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide
CID 59040970
(2R)-3-benzylsulfanyl-N-(4-cyano-1-propylpiperidin-4-yl)-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide;molecular hydrogen
CID 158416703
(2S)-N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide
CID 59040992
5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanoic acid
CID 22566359
N-[3-cyano-1-(cyclopentylmethyl)pyrrolidin-3-yl]-4,4-dimethyl-2-[(2-oxo-1H-quinazolin-4-yl)amino]pentanamide
CID 91192118
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-2-(isoquinolin-1-ylamino)-4,4-dimethylpentanamide
CID 91496586
N-[1-[(4-ethynyl-1-propylpiperidin-4-yl)amino]-5,5-dimethyl-1-oxohexan-2-yl]morpholine-4-carboxamide
CID 59654227
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260579

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide?
The IUPAC name of N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide (CID 11756570) is N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide.
What is the SMILES notation for N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide?
The canonical SMILES for N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide is CC(C)(C)CCC(Nc1nc(=O)oc2ccccc12)C(=O)NC1(C#N)CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide?
The InChIKey is ULTZQWLGURPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O4/c1-27(2,3)9-8-22(30-24-21-6-4-5-7-23(21)38-26(36)31-24)25(35)32-28(20-29)10-12-33(13-11-28)14-15-34-16-18-37-19-17-34/h4-7,22H,8-19H2,1-3H3,(H,32,35)(H,30,31,36).
What are the key properties of N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide?
N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide has a molecular weight of 524.67 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(2-morpholin-4-ylethyl)piperidin-4-yl]-5,5-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]hexanamide is sourced from PubChem (CID 11756570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).