2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C18H27N3O2 — CID 111496286

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c22-14-17-5-4-12-21(17)13-18(23)19-15-6-8-16(9-7-15)20-10-2-1-3-11-20/h6-9,17,22H,1-5,10-14H2,(H,19,23)/t17-/m1/s1
InChIKeyMZSUUIDUTZYBRC-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 111496286) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID111496286
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c22-14-17-5-4-12-21(17)13-18(23)19-15-6-8-16(9-7-15)20-10-2-1-3-11-20/h6-9,17,22H,1-5,10-14H2,(H,19,23)/t17-/m1/s1
InChIKeyMZSUUIDUTZYBRC-QGZVFWFLSA-N
XLogP2.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110016946
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 111496286) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN1CCC[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is MZSUUIDUTZYBRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-14-17-5-4-12-21(17)13-18(23)19-15-6-8-16(9-7-15)20-10-2-1-3-11-20/h6-9,17,22H,1-5,10-14H2,(H,19,23)/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 111496286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).