(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

C16H22ClN3O3 — CID 95187272

IUPAC(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3/c1-10(15(22)19-16(18)23)20-8-6-12(7-9-20)14(21)11-2-4-13(17)5-3-11/h2-5,10,12,14,21H,6-9H2,1H3,(H3,18,19,22,23)/t10-,14-/m0/s1
InChIKeyGPMQFQRDNVDDIK-HZMBPMFUSA-N
MW339.82 g/mol
LogP1.67
Rot. Bonds4

About (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide

(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (PubChem CID 95187272) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
PubChem CID95187272
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O3/c1-10(15(22)19-16(18)23)20-8-6-12(7-9-20)14(21)11-2-4-13(17)5-3-11/h2-5,10,12,14,21H,6-9H2,1H3,(H3,18,19,22,23)/t10-,14-/m0/s1
InChIKeyGPMQFQRDNVDDIK-HZMBPMFUSA-N
XLogP1.67
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 111111278
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide (CID 95187272) is (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(N)=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
The InChIKey is GPMQFQRDNVDDIK-HZMBPMFUSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-10(15(22)19-16(18)23)20-8-6-12(7-9-20)14(21)11-2-4-13(17)5-3-11/h2-5,10,12,14,21H,6-9H2,1H3,(H3,18,19,22,23)/t10-,14-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide?
(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide has a molecular weight of 339.82 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95187272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).