N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

C18H33N3O2 — CID 163350854

IUPACN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-18(2,3)17(23)20-15-9-11-21(12-10-15)13-16(22)19-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAVWOSEUPJNCGIP-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.06
Rot. Bonds4

About N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 163350854) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID163350854
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-18(2,3)17(23)20-15-9-11-21(12-10-15)13-16(22)19-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAVWOSEUPJNCGIP-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611
N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N-cyclopentyl-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119926446
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 163350854) is N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is AVWOSEUPJNCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-18(2,3)17(23)20-15-9-11-21(12-10-15)13-16(22)19-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 323.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163350854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).