3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide

C19H29N3O2 — CID 111444164

IUPAC3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)N2CCC(CO)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(17-5-3-2-4-6-17)21-11-8-18(9-12-21)20-19(24)22-10-7-16(13-22)14-23/h2-6,15-16,18,23H,7-14H2,1H3,(H,20,24)
InChIKeyQYEBOIRDANBTGC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.24
Rot. Bonds4

About 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 111444164) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID111444164
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)N2CCC(CO)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(17-5-3-2-4-6-17)21-11-8-18(9-12-21)20-19(24)22-10-7-16(13-22)14-23/h2-6,15-16,18,23H,7-14H2,1H3,(H,20,24)
InChIKeyQYEBOIRDANBTGC-UHFFFAOYSA-N
XLogP2.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide (CID 111444164) is 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide is CC(c1ccccc1)N1CCC(NC(=O)N2CCC(CO)C2)CC1.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is QYEBOIRDANBTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(17-5-3-2-4-6-17)21-11-8-18(9-12-21)20-19(24)22-10-7-16(13-22)14-23/h2-6,15-16,18,23H,7-14H2,1H3,(H,20,24).
What are the key properties of 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111444164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).