(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

C18H33N3O2 — CID 95129102

IUPAC(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(17(22)19-16-6-2-3-7-16)21-12-8-18(23,9-13-21)14-20-10-4-5-11-20/h15-16,23H,2-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyCZYOZFBXQYQSJN-HNNXBMFYSA-N
MW323.48 g/mol
LogP1.36
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95129102) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95129102
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(O)(CN2CCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(17(22)19-16-6-2-3-7-16)21-12-8-18(23,9-13-21)14-20-10-4-5-11-20/h15-16,23H,2-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyCZYOZFBXQYQSJN-HNNXBMFYSA-N
XLogP1.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
N-cyclohexyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305201
2-[4-[(1-hydroxy-4-methylcyclohexyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 71999745
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
N-cyclopentyl-2-[4-(ethylamino)piperidin-1-yl]propanamide
CID 54923819
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide
CID 50983445
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
N-cyclopropyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305216
3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324286
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (CID 95129102) is (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC1CCCC1)N1CCC(O)(CN2CCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is CZYOZFBXQYQSJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(17(22)19-16-6-2-3-7-16)21-12-8-18(23,9-13-21)14-20-10-4-5-11-20/h15-16,23H,2-14H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 323.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95129102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).