(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone

C16H22ClN3O2 — CID 25097535

IUPAC(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N[C@H]2CNC[C@@H]2O)CC1
InChIInChI=1S/C16H22ClN3O2/c17-12-3-1-11(2-4-12)16(22)20-7-5-13(6-8-20)19-14-9-18-10-15(14)21/h1-4,13-15,18-19,21H,5-10H2/t14-,15-/m0/s1
InChIKeyMAKUVOMMEZZLOD-GJZGRUSLSA-N
MW323.82 g/mol
LogP0.87
Rot. Bonds3

About (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone (PubChem CID 25097535) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
PubChem CID25097535
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N[C@H]2CNC[C@@H]2O)CC1
InChIInChI=1S/C16H22ClN3O2/c17-12-3-1-11(2-4-12)16(22)20-7-5-13(6-8-20)19-14-9-18-10-15(14)21/h1-4,13-15,18-19,21H,5-10H2/t14-,15-/m0/s1
InChIKeyMAKUVOMMEZZLOD-GJZGRUSLSA-N
XLogP0.87
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-[[(4R)-4-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]amino]piperidin-1-yl]methanone
CID 25097830
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
[2-[(3R,4R)-3-[[1-(4-chlorobenzoyl)piperidin-4-yl]amino]-4-hydroxypyrrolidin-1-yl]phenyl]urea
CID 69173021
(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
CID 154793754
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
(4-chlorophenyl)-[4-[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 91921201
(4-chlorophenyl)-[4-[[4-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]piperidin-1-yl]methanone
CID 69172815
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
2-[2-[(3R,4R)-3-[[1-(4-chlorobenzoyl)piperidin-4-yl]amino]-4-hydroxypyrrolidin-1-yl]phenyl]acetic acid;2,2,2-trifluoroacetic acid
CID 69171793

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone (CID 25097535) is (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(N[C@H]2CNC[C@@H]2O)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone?
The InChIKey is MAKUVOMMEZZLOD-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-12-3-1-11(2-4-12)16(22)20-7-5-13(6-8-20)19-14-9-18-10-15(14)21/h1-4,13-15,18-19,21H,5-10H2/t14-,15-/m0/s1.
What are the key properties of (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone has a molecular weight of 323.82 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 25097535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).