4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide

C20H32N2O3 — CID 110901487

IUPAC4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C20H32N2O3/c1-15(2)25-19-8-6-17(7-9-19)5-4-16(3)21-20(24)22-12-10-18(14-23)11-13-22/h6-9,15-16,18,23H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyGENYAHWVUNVFNM-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.21
Rot. Bonds7

About 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 110901487) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
PubChem CID110901487
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C20H32N2O3/c1-15(2)25-19-8-6-17(7-9-19)5-4-16(3)21-20(24)22-12-10-18(14-23)11-13-22/h6-9,15-16,18,23H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyGENYAHWVUNVFNM-UHFFFAOYSA-N
XLogP3.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide
CID 55910253
N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide (CID 110901487) is 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is GENYAHWVUNVFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15(2)25-19-8-6-17(7-9-19)5-4-16(3)21-20(24)22-12-10-18(14-23)11-13-22/h6-9,15-16,18,23H,4-5,10-14H2,1-3H3,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110901487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).