N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119867908

IUPACN-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCCCCC2)cc1)C1COCCN1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-12-9-19-17)20-16-7-5-15(6-8-16)13-21-10-3-1-2-4-11-21;;/h5-8,17,19H,1-4,9-14H2,(H,20,22);2*1H
InChIKeyLHYPRGIPBLEQDO-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.83
Rot. Bonds4

About N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride

N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119867908) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119867908
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CN2CCCCCC2)cc1)C1COCCN1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-12-9-19-17)20-16-7-5-15(6-8-16)13-21-10-3-1-2-4-11-21;;/h5-8,17,19H,1-4,9-14H2,(H,20,22);2*1H
InChIKeyLHYPRGIPBLEQDO-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride 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

N-[4-(azepane-1-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119761499
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119866777
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]morpholine-3-carboxamide
CID 119712459
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119714110
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride (CID 119867908) is N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(CN2CCCCCC2)cc1)C1COCCN1.
What is the InChIKey of N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is LHYPRGIPBLEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-12-9-19-17)20-16-7-5-15(6-8-16)13-21-10-3-1-2-4-11-21;;/h5-8,17,19H,1-4,9-14H2,(H,20,22);2*1H.
What are the key properties of N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride?
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).