cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride

C16H26ClN3O — CID 87211381

IUPACcyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
SMILESC1CC1.CN1CCC(Nc2cccc(NC=O)c2)CC1.Cl
InChIInChI=1S/C13H19N3O.C3H6.ClH/c1-16-7-5-11(6-8-16)15-13-4-2-3-12(9-13)14-10-17;1-2-3-1;/h2-4,9-11,15H,5-8H2,1H3,(H,14,17);1-3H2;1H
InChIKeyDMROGSXCTFLPJU-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.35
Rot. Bonds4

About cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride

cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride (PubChem CID 87211381) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride.

Molecular Properties

Compound Namecyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
PubChem CID87211381
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Namecyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
SMILESC1CC1.CN1CCC(Nc2cccc(NC=O)c2)CC1.Cl
InChIInChI=1S/C13H19N3O.C3H6.ClH/c1-16-7-5-11(6-8-16)15-13-4-2-3-12(9-13)14-10-17;1-2-3-1;/h2-4,9-11,15H,5-8H2,1H3,(H,14,17);1-3H2;1H
InChIKeyDMROGSXCTFLPJU-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478
1-methyl-N-(3-pyrrolidin-2-ylphenyl)piperidin-4-amine
CID 118900458
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride?
The IUPAC name of cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride (CID 87211381) is cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride.
What is the SMILES notation for cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride?
The canonical SMILES for cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride is C1CC1.CN1CCC(Nc2cccc(NC=O)c2)CC1.Cl.
What is the InChIKey of cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride?
The InChIKey is DMROGSXCTFLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C3H6.ClH/c1-16-7-5-11(6-8-16)15-13-4-2-3-12(9-13)14-10-17;1-2-3-1;/h2-4,9-11,15H,5-8H2,1H3,(H,14,17);1-3H2;1H.
What are the key properties of cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride?
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride is sourced from PubChem (CID 87211381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).