N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

C21H37N3O3 — CID 55706617

IUPACN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-21(2,3)20(27)22-13-7-10-18(25)23-17-11-14-24(15-12-17)19(26)16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyJXHAVCJTZNKEHB-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.62
Rot. Bonds6

About N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 55706617) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID55706617
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-21(2,3)20(27)22-13-7-10-18(25)23-17-11-14-24(15-12-17)19(26)16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyJXHAVCJTZNKEHB-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
CID 46463757
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919724
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63031976
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 55706617) is N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is JXHAVCJTZNKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-21(2,3)20(27)22-13-7-10-18(25)23-17-11-14-24(15-12-17)19(26)16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 379.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55706617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).