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

C20H29N3O2 — CID 110014298

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CCCC1O
InChIInChI=1S/C20H29N3O2/c24-19-6-2-5-18(19)20(25)21-16-3-1-4-17(13-16)23-11-9-22(10-12-23)14-15-7-8-15/h1,3-4,13,15,18-19,24H,2,5-12,14H2,(H,21,25)
InChIKeyBFYBOVIDFUXHKC-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.32
Rot. Bonds5

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

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014298) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014298
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CCCC1O
InChIInChI=1S/C20H29N3O2/c24-19-6-2-5-18(19)20(25)21-16-3-1-4-17(13-16)23-11-9-22(10-12-23)14-15-7-8-15/h1,3-4,13,15,18-19,24H,2,5-12,14H2,(H,21,25)
InChIKeyBFYBOVIDFUXHKC-UHFFFAOYSA-N
XLogP2.32
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
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
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
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
CID 76869763
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide (CID 110014298) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide is O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CCCC1O.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is BFYBOVIDFUXHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-6-2-5-18(19)20(25)21-16-3-1-4-17(13-16)23-11-9-22(10-12-23)14-15-7-8-15/h1,3-4,13,15,18-19,24H,2,5-12,14H2,(H,21,25).
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).