4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide

C18H29N3O2 — CID 111424931

IUPAC4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-13(2)20(4)17-7-5-6-16(12-17)19-18(23)21-10-8-15(9-11-21)14(3)22/h5-7,12-15,22H,8-11H2,1-4H3,(H,19,23)
InChIKeyKEQAWZAYZCRUQK-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.16
Rot. Bonds4

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

4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (PubChem CID 111424931) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
PubChem CID111424931
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-13(2)20(4)17-7-5-6-16(12-17)19-18(23)21-10-8-15(9-11-21)14(3)22/h5-7,12-15,22H,8-11H2,1-4H3,(H,19,23)
InChIKeyKEQAWZAYZCRUQK-UHFFFAOYSA-N
XLogP3.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide (CID 111424931) is 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2cccc(N(C)C(C)C)c2)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
The InChIKey is KEQAWZAYZCRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)20(4)17-7-5-6-16(12-17)19-18(23)21-10-8-15(9-11-21)14(3)22/h5-7,12-15,22H,8-11H2,1-4H3,(H,19,23).
What are the key properties of 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 111424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).