N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide

C20H30N4O2 — CID 56752137

IUPACN-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CCN3C)cc1
InChIInChI=1S/C20H30N4O2/c1-4-18(25)21-17-7-5-16(6-8-17)19(26)24-11-9-20(10-12-24)15-22(2)13-14-23(20)3/h5-8H,4,9-15H2,1-3H3,(H,21,25)
InChIKeyZKQXSUCWUJFIDW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.89
Rot. Bonds3

About N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide

N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide (PubChem CID 56752137) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide
PubChem CID56752137
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CCN3C)cc1
InChIInChI=1S/C20H30N4O2/c1-4-18(25)21-17-7-5-16(6-8-17)19(26)24-11-9-20(10-12-24)15-22(2)13-14-23(20)3/h5-8H,4,9-15H2,1-3H3,(H,21,25)
InChIKeyZKQXSUCWUJFIDW-UHFFFAOYSA-N
XLogP1.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
2-(4-chloroanilino)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)butan-1-one
CID 56751131
N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168019
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
(2-butoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56747964
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide?
The IUPAC name of N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide (CID 56752137) is N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CCN3C)cc1.
What is the InChIKey of N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide?
The InChIKey is ZKQXSUCWUJFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-18(25)21-17-7-5-16(6-8-17)19(26)24-11-9-20(10-12-24)15-22(2)13-14-23(20)3/h5-8H,4,9-15H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide?
N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide is sourced from PubChem (CID 56752137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).