N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

C20H29N3O2 — CID 95074891

IUPACN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCCCN3CCCC[C@H]3C)cc2o1
InChIInChI=1S/C20H29N3O2/c1-14(2)20-22-17-9-8-16(13-18(17)25-20)19(24)21-10-6-12-23-11-5-4-7-15(23)3/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeySGSPFNQGAUSNTO-OAHLLOKOSA-N
MW343.47 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 95074891) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID95074891
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NCCCN3CCCC[C@H]3C)cc2o1
InChIInChI=1S/C20H29N3O2/c1-14(2)20-22-17-9-8-16(13-18(17)25-20)19(24)21-10-6-12-23-11-5-4-7-15(23)3/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeySGSPFNQGAUSNTO-OAHLLOKOSA-N
XLogP3.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 20889684
2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 95074891) is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is CC(C)c1nc2ccc(C(=O)NCCCN3CCCC[C@H]3C)cc2o1.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is SGSPFNQGAUSNTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)20-22-17-9-8-16(13-18(17)25-20)19(24)21-10-6-12-23-11-5-4-7-15(23)3/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 95074891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).