N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide

C20H29N3O4 — CID 119741739

IUPACN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCNCC1
InChIInChI=1S/C20H29N3O4/c1-26-20(9-12-21-13-10-20)19(25)22-11-8-15-2-6-17(7-3-15)27-14-18(24)23-16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyQMKLHCCMCRLWGS-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.77
Rot. Bonds9

About N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119741739) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119741739
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCNCC1
InChIInChI=1S/C20H29N3O4/c1-26-20(9-12-21-13-10-20)19(25)22-11-8-15-2-6-17(7-3-15)27-14-18(24)23-16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyQMKLHCCMCRLWGS-UHFFFAOYSA-N
XLogP0.77
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624646
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 109471417
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
CID 119299396
N-cyclopropyl-2-[4-[2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111739039
ethyl 4-[N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163827
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide (CID 119741739) is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCNCC1.
What is the InChIKey of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QMKLHCCMCRLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-20(9-12-21-13-10-20)19(25)22-11-8-15-2-6-17(7-3-15)27-14-18(24)23-16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119741739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).