4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide

C17H26N2O3 — CID 111122302

IUPAC4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13(10-15-4-3-5-16(11-15)22-2)18-17(21)19-8-6-14(12-20)7-9-19/h3-5,11,13-14,20H,6-10,12H2,1-2H3,(H,18,21)
InChIKeyCZGRAAWKBDQLAN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.04
Rot. Bonds5

About 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 111122302) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID111122302
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13(10-15-4-3-5-16(11-15)22-2)18-17(21)19-8-6-14(12-20)7-9-19/h3-5,11,13-14,20H,6-10,12H2,1-2H3,(H,18,21)
InChIKeyCZGRAAWKBDQLAN-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
N-[1-(3-methoxyphenyl)propan-2-yl]-4-(2,4,6-trifluorobenzoyl)piperidine-1-carboxamide
CID 86953536
N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
CID 86943270
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 96532420
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[1-(3-methoxyphenyl)propan-2-yl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86943862
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 95127122
2-[(2-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 86943343

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide (CID 111122302) is 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide is COc1cccc(CC(C)NC(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is CZGRAAWKBDQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(10-15-4-3-5-16(11-15)22-2)18-17(21)19-8-6-14(12-20)7-9-19/h3-5,11,13-14,20H,6-10,12H2,1-2H3,(H,18,21).
What are the key properties of 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 111122302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).