(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide

C20H39N3O3 — CID 170758211

IUPAC(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide
SMILESCC(C)C(N)=O.C[C@H](CC(=O)N1CCCC(N)C1)OCC1CCCCC1
InChIInChI=1S/C16H30N2O2.C4H9NO/c1-13(20-12-14-6-3-2-4-7-14)10-16(19)18-9-5-8-15(17)11-18;1-3(2)4(5)6/h13-15H,2-12,17H2,1H3;3H,1-2H3,(H2,5,6)/t13-,15?;/m1./s1
InChIKeyKQRHBQINQCOZPV-LKNSGBSQSA-N
MW369.55 g/mol
LogP2.44
Rot. Bonds6

About (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide

(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide (PubChem CID 170758211) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide.

Molecular Properties

Compound Name(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide
PubChem CID170758211
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC Name(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide
SMILESCC(C)C(N)=O.C[C@H](CC(=O)N1CCCC(N)C1)OCC1CCCCC1
InChIInChI=1S/C16H30N2O2.C4H9NO/c1-13(20-12-14-6-3-2-4-7-14)10-16(19)18-9-5-8-15(17)11-18;1-3(2)4(5)6/h13-15H,2-12,17H2,1H3;3H,1-2H3,(H2,5,6)/t13-,15?;/m1./s1
InChIKeyKQRHBQINQCOZPV-LKNSGBSQSA-N
XLogP2.44
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119378198
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenyl)butan-1-one
CID 119380064
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide?
The IUPAC name of (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide (CID 170758211) is (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide.
What is the SMILES notation for (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide?
The canonical SMILES for (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide is CC(C)C(N)=O.C[C@H](CC(=O)N1CCCC(N)C1)OCC1CCCCC1.
What is the InChIKey of (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide?
The InChIKey is KQRHBQINQCOZPV-LKNSGBSQSA-N. The full InChI is InChI=1S/C16H30N2O2.C4H9NO/c1-13(20-12-14-6-3-2-4-7-14)10-16(19)18-9-5-8-15(17)11-18;1-3(2)4(5)6/h13-15H,2-12,17H2,1H3;3H,1-2H3,(H2,5,6)/t13-,15?;/m1./s1.
What are the key properties of (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide?
(3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide has a molecular weight of 369.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-aminopiperidin-1-yl)-3-(cyclohexylmethoxy)butan-1-one;2-methylpropanamide is sourced from PubChem (CID 170758211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).