N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide

C19H28ClN3O — CID 99715413

IUPACN-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H28ClN3O/c1-14(24)21-15-8-10-16(11-9-15)22-17-5-4-12-23(13-17)19-7-3-2-6-18(19)20/h2-3,6-7,15-17,22H,4-5,8-13H2,1H3,(H,21,24)/t15?,16?,17-/m1/s1
InChIKeyWWROLFKLPSXHNS-OFLPRAFFSA-N
MW349.91 g/mol
LogP3.35
Rot. Bonds4

About N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide

N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide (PubChem CID 99715413) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
PubChem CID99715413
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H28ClN3O/c1-14(24)21-15-8-10-16(11-9-15)22-17-5-4-12-23(13-17)19-7-3-2-6-18(19)20/h2-3,6-7,15-17,22H,4-5,8-13H2,1H3,(H,21,24)/t15?,16?,17-/m1/s1
InChIKeyWWROLFKLPSXHNS-OFLPRAFFSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
1-[3-[[1-(2-chlorophenyl)piperidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 131896893
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111507150
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-[1-(2-chlorophenyl)piperidin-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
CID 136522287
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzamide
CID 55084464
3-[(3S)-1-(2-chlorophenyl)piperidin-3-yl]-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 99818022
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide (CID 99715413) is N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1.
What is the InChIKey of N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide?
The InChIKey is WWROLFKLPSXHNS-OFLPRAFFSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-14(24)21-15-8-10-16(11-9-15)22-17-5-4-12-23(13-17)19-7-3-2-6-18(19)20/h2-3,6-7,15-17,22H,4-5,8-13H2,1H3,(H,21,24)/t15?,16?,17-/m1/s1.
What are the key properties of N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide?
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide has a molecular weight of 349.91 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 99715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).