N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride

C19H31Cl3N4O2 — CID 119902667

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(O)CN1
InChIInChI=1S/C19H28N4O2.3ClH/c24-17-11-18(20-12-17)19(25)21-15-2-1-3-16(10-15)23-8-6-22(7-9-23)13-14-4-5-14;;;/h1-3,10,14,17-18,20,24H,4-9,11-13H2,(H,21,25);3*1H
InChIKeyIXCRNSZKTNOMAU-UHFFFAOYSA-N
MW453.84 g/mol
LogP2.15
Rot. Bonds5

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

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride (PubChem CID 119902667) has the molecular formula C19H31Cl3N4O2 and a molecular weight of 453.84 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
PubChem CID119902667
Molecular FormulaC19H31Cl3N4O2
Molecular Weight453.84 g/mol
Exact Mass452.15
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(O)CN1
InChIInChI=1S/C19H28N4O2.3ClH/c24-17-11-18(20-12-17)19(25)21-15-2-1-3-16(10-15)23-8-6-22(7-9-23)13-14-4-5-14;;;/h1-3,10,14,17-18,20,24H,4-9,11-13H2,(H,21,25);3*1H
InChIKeyIXCRNSZKTNOMAU-UHFFFAOYSA-N
XLogP2.15
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.84
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
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]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
4-acetyl-N-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 167881640
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride (CID 119902667) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride is Cl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride?
The InChIKey is IXCRNSZKTNOMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.3ClH/c24-17-11-18(20-12-17)19(25)21-15-2-1-3-16(10-15)23-8-6-22(7-9-23)13-14-4-5-14;;;/h1-3,10,14,17-18,20,24H,4-9,11-13H2,(H,21,25);3*1H.
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride has a molecular weight of 453.84 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-4-hydroxypyrrolidine-2-carboxamide;trihydrochloride is sourced from PubChem (CID 119902667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).