N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide

C17H26N2O3 — CID 119319806

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2CCCCN2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(19-17(20)14-6-4-5-9-18-14)10-13-7-8-15(21-2)16(11-13)22-3/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyMQBHUZCWVYWPQE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 119319806) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
PubChem CID119319806
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2CCCCN2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(19-17(20)14-6-4-5-9-18-14)10-13-7-8-15(21-2)16(11-13)22-3/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyMQBHUZCWVYWPQE-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide (CID 119319806) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide is COc1ccc(CC(C)NC(=O)C2CCCCN2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is MQBHUZCWVYWPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(19-17(20)14-6-4-5-9-18-14)10-13-7-8-15(21-2)16(11-13)22-3/h7-8,11-12,14,18H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119319806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).