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

C19H27N3O2 — CID 94675789

IUPAC(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCO1
InChIInChI=1S/C19H27N3O2/c23-19(18-5-2-12-24-18)20-16-3-1-4-17(13-16)22-10-8-21(9-11-22)14-15-6-7-15/h1,3-4,13,15,18H,2,5-12,14H2,(H,20,23)/t18-/m1/s1
InChIKeyXPLXSAFIXDPPNQ-GOSISDBHSA-N
MW329.44 g/mol
LogP2.34
Rot. Bonds5

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

(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide (PubChem CID 94675789) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
PubChem CID94675789
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCO1
InChIInChI=1S/C19H27N3O2/c23-19(18-5-2-12-24-18)20-16-3-1-4-17(13-16)22-10-8-21(9-11-22)14-15-6-7-15/h1,3-4,13,15,18H,2,5-12,14H2,(H,20,23)/t18-/m1/s1
InChIKeyXPLXSAFIXDPPNQ-GOSISDBHSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
CID 119902667
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide (CID 94675789) is (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is XPLXSAFIXDPPNQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(18-5-2-12-24-18)20-16-3-1-4-17(13-16)22-10-8-21(9-11-22)14-15-6-7-15/h1,3-4,13,15,18H,2,5-12,14H2,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 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]oxolane-2-carboxamide is sourced from PubChem (CID 94675789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).