4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide

C18H28N2O3 — CID 110896259

IUPAC4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-17-6-4-5-16(11-17)14(3)19-18(22)20-9-7-15(12-21)8-10-20/h4-6,11,13-15,21H,7-10,12H2,1-3H3,(H,19,22)
InChIKeyTYJVLVBCWXLXBD-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.95
Rot. Bonds5

About 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 110896259) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID110896259
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-17-6-4-5-16(11-17)14(3)19-18(22)20-9-7-15(12-21)8-10-20/h4-6,11,13-15,21H,7-10,12H2,1-3H3,(H,19,22)
InChIKeyTYJVLVBCWXLXBD-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
(3R)-1-N-propan-2-yl-3-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950152
(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950150
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896048
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
N-[1-(3-aminophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 79153018

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide (CID 110896259) is 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is TYJVLVBCWXLXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)23-17-6-4-5-16(11-17)14(3)19-18(22)20-9-7-15(12-21)8-10-20/h4-6,11,13-15,21H,7-10,12H2,1-3H3,(H,19,22).
What are the key properties of 4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.95, 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-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 110896259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).