N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119710766

IUPACN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CCNCC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-19(8-10-20-11-9-19)18(24)21-13-14-4-2-7-16(12-14)22-17(23)15-5-3-6-15;/h2,4,7,12,15,20H,3,5-6,8-11,13H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyQKSZIMGXQAQREY-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.23
Rot. Bonds6

About N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119710766) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119710766
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CCNCC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-19(8-10-20-11-9-19)18(24)21-13-14-4-2-7-16(12-14)22-17(23)15-5-3-6-15;/h2,4,7,12,15,20H,3,5-6,8-11,13H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyQKSZIMGXQAQREY-UHFFFAOYSA-N
XLogP2.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119801073
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119710766) is N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CCNCC1.Cl.
What is the InChIKey of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is QKSZIMGXQAQREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-19(8-10-20-11-9-19)18(24)21-13-14-4-2-7-16(12-14)22-17(23)15-5-3-6-15;/h2,4,7,12,15,20H,3,5-6,8-11,13H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119710766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).