1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C20H40N4O2 — CID 95774822

IUPAC1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C20H40N4O2/c1-15(17(25)22-19(2,3)4)24-11-9-16(10-12-24)18(26)21-13-20(5,6)14-23(7)8/h15-16H,9-14H2,1-8H3,(H,21,26)(H,22,25)/t15-/m0/s1
InChIKeyKYTRUHXZHSGWQS-HNNXBMFYSA-N
MW368.57 g/mol
LogP1.71
Rot. Bonds7

About 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 95774822) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID95774822
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C20H40N4O2/c1-15(17(25)22-19(2,3)4)24-11-9-16(10-12-24)18(26)21-13-20(5,6)14-23(7)8/h15-16H,9-14H2,1-8H3,(H,21,26)(H,22,25)/t15-/m0/s1
InChIKeyKYTRUHXZHSGWQS-HNNXBMFYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
CID 119301954
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42955074
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
CID 56552654
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63790124
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 95774822) is 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is C[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.
What is the InChIKey of 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is KYTRUHXZHSGWQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-15(17(25)22-19(2,3)4)24-11-9-16(10-12-24)18(26)21-13-20(5,6)14-23(7)8/h15-16H,9-14H2,1-8H3,(H,21,26)(H,22,25)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 368.57 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 95774822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).