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

C19H31Cl3N4O2 — CID 119902655

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1COCCN1
InChIInChI=1S/C19H28N4O2.3ClH/c24-19(18-14-25-11-6-20-18)21-16-2-1-3-17(12-16)23-9-7-22(8-10-23)13-15-4-5-15;;;/h1-3,12,15,18,20H,4-11,13-14H2,(H,21,24);3*1H
InChIKeyPQFZEYNMJBDJDY-UHFFFAOYSA-N
MW453.84 g/mol
LogP2.41
Rot. Bonds5

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

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride (PubChem CID 119902655) 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]morpholine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
PubChem CID119902655
Molecular FormulaC19H31Cl3N4O2
Molecular Weight453.84 g/mol
Exact Mass452.15
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1COCCN1
InChIInChI=1S/C19H28N4O2.3ClH/c24-19(18-14-25-11-6-20-18)21-16-2-1-3-17(12-16)23-9-7-22(8-10-23)13-15-4-5-15;;;/h1-3,12,15,18,20H,4-11,13-14H2,(H,21,24);3*1H
InChIKeyPQFZEYNMJBDJDY-UHFFFAOYSA-N
XLogP2.41
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.84
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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]pyrrolidine-3-carboxamide
CID 119902694
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(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-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride (CID 119902655) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride is Cl.Cl.Cl.O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1COCCN1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride?
The InChIKey is PQFZEYNMJBDJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.3ClH/c24-19(18-14-25-11-6-20-18)21-16-2-1-3-17(12-16)23-9-7-22(8-10-23)13-15-4-5-15;;;/h1-3,12,15,18,20H,4-11,13-14H2,(H,21,24);3*1H.
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride has a molecular weight of 453.84 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 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]morpholine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).