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

C18H28N2O3 — CID 111438806

IUPAC4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(11-15-5-4-6-17(12-15)23-3)19-18(22)20-9-7-16(8-10-20)14(2)21/h4-6,12-14,16,21H,7-11H2,1-3H3,(H,19,22)
InChIKeyZRMBLPSDWOONFD-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.43
Rot. Bonds5

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

4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 111438806) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID111438806
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(11-15-5-4-6-17(12-15)23-3)19-18(22)20-9-7-16(8-10-20)14(2)21/h4-6,12-14,16,21H,7-11H2,1-3H3,(H,19,22)
InChIKeyZRMBLPSDWOONFD-UHFFFAOYSA-N
XLogP2.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
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
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
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-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
N-[1-(3-methoxyphenyl)propan-2-yl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86943862
[4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 95127122

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide (CID 111438806) is 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide is COc1cccc(CC(C)NC(=O)N2CCC(C(C)O)CC2)c1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is ZRMBLPSDWOONFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(11-15-5-4-6-17(12-15)23-3)19-18(22)20-9-7-16(8-10-20)14(2)21/h4-6,12-14,16,21H,7-11H2,1-3H3,(H,19,22).
What are the key properties of 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 111438806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).