N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide

C16H30N2O2 — CID 111101945

IUPACN-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(O)CC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-12(2)15(18-10-4-3-5-11-18)16(20)17-13-6-8-14(19)9-7-13/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyYHVALYUNRWCTAY-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide

N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide (PubChem CID 111101945) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
PubChem CID111101945
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(O)CC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-12(2)15(18-10-4-3-5-11-18)16(20)17-13-6-8-14(19)9-7-13/h12-15,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyYHVALYUNRWCTAY-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothian-3-yl]-3-methyl-2-piperidin-1-ylbutanamide
CID 96547556
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 167229303
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 125148753
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
CID 94185282
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide (CID 111101945) is N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide is CC(C)C(C(=O)NC1CCC(O)CC1)N1CCCCC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide?
The InChIKey is YHVALYUNRWCTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)15(18-10-4-3-5-11-18)16(20)17-13-6-8-14(19)9-7-13/h12-15,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide?
N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methyl-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 111101945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).