(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide

C20H30N4O — CID 119902654

IUPAC(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCCN1
InChIInChI=1S/C20H30N4O/c25-20(19-6-1-2-9-21-19)22-17-4-3-5-18(14-17)24-12-10-23(11-13-24)15-16-7-8-16/h3-5,14,16,19,21H,1-2,6-13,15H2,(H,22,25)/t19-/m1/s1
InChIKeyIJMXZQJBFALJJL-LJQANCHMSA-N
MW342.49 g/mol
LogP2.30
Rot. Bonds5

About (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide

(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide (PubChem CID 119902654) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
PubChem CID119902654
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCCN1
InChIInChI=1S/C20H30N4O/c25-20(19-6-1-2-9-21-19)22-17-4-3-5-18(14-17)24-12-10-23(11-13-24)15-16-7-8-16/h3-5,14,16,19,21H,1-2,6-13,15H2,(H,22,25)/t19-/m1/s1
InChIKeyIJMXZQJBFALJJL-LJQANCHMSA-N
XLogP2.30
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide (CID 119902654) is (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide is O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide?
The InChIKey is IJMXZQJBFALJJL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(19-6-1-2-9-21-19)22-17-4-3-5-18(14-17)24-12-10-23(11-13-24)15-16-7-8-16/h3-5,14,16,19,21H,1-2,6-13,15H2,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide?
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119902654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).