N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119305159

IUPACN-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC(C)C(=O)Nc1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11(22-2)15(20)18-13-4-3-5-14(10-13)19-16(21)12-6-8-17-9-7-12;/h3-5,10-12,17H,6-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyQWFCYMKQPRGUIA-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.02
Rot. Bonds5

About N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119305159) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119305159
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC(C)C(=O)Nc1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-11(22-2)15(20)18-13-4-3-5-14(10-13)19-16(21)12-6-8-17-9-7-12;/h3-5,10-12,17H,6-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyQWFCYMKQPRGUIA-UHFFFAOYSA-N
XLogP2.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
9-amino-N-[3-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119314349
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95089235
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119305159) is N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is COC(C)C(=O)Nc1cccc(NC(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QWFCYMKQPRGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-11(22-2)15(20)18-13-4-3-5-14(10-13)19-16(21)12-6-8-17-9-7-12;/h3-5,10-12,17H,6-9H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119305159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).