[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride

C18H22ClN3O2 — CID 119564155

IUPAC[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-19-16-7-10-21(11-8-16)18(23)14-4-2-13(3-5-14)17(22)15-6-9-20-12-15;/h2-6,9,12,16,19-20H,7-8,10-11H2,1H3;1H
InChIKeyAWAZLVRIXSTLFJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.49
Rot. Bonds4

About [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride

[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride (PubChem CID 119564155) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
PubChem CID119564155
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-19-16-7-10-21(11-8-16)18(23)14-4-2-13(3-5-14)17(22)15-6-9-20-12-15;/h2-6,9,12,16,19-20H,7-8,10-11H2,1H3;1H
InChIKeyAWAZLVRIXSTLFJ-UHFFFAOYSA-N
XLogP2.49
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119652316
[4-[(3S)-3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 96527837
[4-[3-(methylsulfanylmethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71863408
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71979424

Frequently Asked Questions

What is the IUPAC name of [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride (CID 119564155) is [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1.Cl.
What is the InChIKey of [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride?
The InChIKey is AWAZLVRIXSTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c1-19-16-7-10-21(11-8-16)18(23)14-4-2-13(3-5-14)17(22)15-6-9-20-12-15;/h2-6,9,12,16,19-20H,7-8,10-11H2,1H3;1H.
What are the key properties of [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride?
[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119564155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).