N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride

C18H31Cl3N4O2 — CID 119901924

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(NCCCN1CCN(c2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C18H28N4O2.3ClH/c23-18(17-15-24-14-8-19-17)20-7-4-9-21-10-12-22(13-11-21)16-5-2-1-3-6-16;;;/h1-3,5-6,17,19H,4,7-15H2,(H,20,23);3*1H
InChIKeyBZQPXQCJUGAPRP-UHFFFAOYSA-N
MW441.83 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride

N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride (PubChem CID 119901924) has the molecular formula C18H31Cl3N4O2 and a molecular weight of 441.83 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
PubChem CID119901924
Molecular FormulaC18H31Cl3N4O2
Molecular Weight441.83 g/mol
Exact Mass440.15
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.O=C(NCCCN1CCN(c2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C18H28N4O2.3ClH/c23-18(17-15-24-14-8-19-17)20-7-4-9-21-10-12-22(13-11-21)16-5-2-1-3-6-16;;;/h1-3,5-6,17,19H,4,7-15H2,(H,20,23);3*1H
InChIKeyBZQPXQCJUGAPRP-UHFFFAOYSA-N
XLogP1.57
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.83
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
CID 119897262
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride (CID 119901924) is N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride is Cl.Cl.Cl.O=C(NCCCN1CCN(c2ccccc2)CC1)C1COCCN1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride?
The InChIKey is BZQPXQCJUGAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.3ClH/c23-18(17-15-24-14-8-19-17)20-7-4-9-21-10-12-22(13-11-21)16-5-2-1-3-6-16;;;/h1-3,5-6,17,19H,4,7-15H2,(H,20,23);3*1H.
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride?
N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride has a molecular weight of 441.83 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119901924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).