2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

C21H33N3O2 — CID 42191572

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESO=C(CN1CCC(O)CC1)N[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c25-20-10-14-24(15-11-20)17-21(26)22-19-9-5-13-23(16-19)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19-20,25H,4-5,8-17H2,(H,22,26)/t19-/m0/s1
InChIKeyXEULUDSGKPHHJB-IBGZPJMESA-N
MW359.51 g/mol
LogP1.66
Rot. Bonds7

About 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (PubChem CID 42191572) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
PubChem CID42191572
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESO=C(CN1CCC(O)CC1)N[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c25-20-10-14-24(15-11-20)17-21(26)22-19-9-5-13-23(16-19)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19-20,25H,4-5,8-17H2,(H,22,26)/t19-/m0/s1
InChIKeyXEULUDSGKPHHJB-IBGZPJMESA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (CID 42191572) is 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is O=C(CN1CCC(O)CC1)N[C@H]1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The InChIKey is XEULUDSGKPHHJB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O2/c25-20-10-14-24(15-11-20)17-21(26)22-19-9-5-13-23(16-19)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19-20,25H,4-5,8-17H2,(H,22,26)/t19-/m0/s1.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 42191572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).