N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide

C24H46N4O3 — CID 56552654

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C24H46N4O3/c1-7-14-27(15-8-2)21(29)10-9-11-22(30)28-16-12-20(13-17-28)23(31)25-18-24(3,4)19-26(5)6/h20H,7-19H2,1-6H3,(H,25,31)
InChIKeyAIJMAQHLSPFRSO-UHFFFAOYSA-N
MW438.66 g/mol
LogP2.75
Rot. Bonds13

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide (PubChem CID 56552654) has the molecular formula C24H46N4O3 and a molecular weight of 438.66 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
PubChem CID56552654
Molecular FormulaC24H46N4O3
Molecular Weight438.66 g/mol
Exact Mass438.36
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C24H46N4O3/c1-7-14-27(15-8-2)21(29)10-9-11-22(30)28-16-12-20(13-17-28)23(31)25-18-24(3,4)19-26(5)6/h20H,7-19H2,1-6H3,(H,25,31)
InChIKeyAIJMAQHLSPFRSO-UHFFFAOYSA-N
XLogP2.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 56552889
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
CID 119301954
1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986007
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 95774822
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724208
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55987416
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide (CID 56552654) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide is CCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide?
The InChIKey is AIJMAQHLSPFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O3/c1-7-14-27(15-8-2)21(29)10-9-11-22(30)28-16-12-20(13-17-28)23(31)25-18-24(3,4)19-26(5)6/h20H,7-19H2,1-6H3,(H,25,31).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide has a molecular weight of 438.66 g/mol, XLogP of 2.75, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 56552654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).