3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide

C16H25N3O2 — CID 102964223

IUPAC3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
SMILESCNC(C)c1ccc(NC(=O)N2CCC(C)C(O)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-11-8-9-19(10-15(11)20)16(21)18-14-6-4-13(5-7-14)12(2)17-3/h4-7,11-12,15,17,20H,8-10H2,1-3H3,(H,18,21)
InChIKeyBZZDTQMSGKCBHM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.20
Rot. Bonds3

About 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide

3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide (PubChem CID 102964223) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
PubChem CID102964223
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
SMILESCNC(C)c1ccc(NC(=O)N2CCC(C)C(O)C2)cc1
InChIInChI=1S/C16H25N3O2/c1-11-8-9-19(10-15(11)20)16(21)18-14-6-4-13(5-7-14)12(2)17-3/h4-7,11-12,15,17,20H,8-10H2,1-3H3,(H,18,21)
InChIKeyBZZDTQMSGKCBHM-UHFFFAOYSA-N
XLogP2.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide (CID 102964223) is 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide is CNC(C)c1ccc(NC(=O)N2CCC(C)C(O)C2)cc1.
What is the InChIKey of 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
The InChIKey is BZZDTQMSGKCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-8-9-19(10-15(11)20)16(21)18-14-6-4-13(5-7-14)12(2)17-3/h4-7,11-12,15,17,20H,8-10H2,1-3H3,(H,18,21).
What are the key properties of 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide?
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 102964223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).