(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone

C12H19N3O — CID 79994014

IUPAC(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccn2C)C1
InChIInChI=1S/C12H19N3O/c1-9-6-10(13)8-15(7-9)12(16)11-4-3-5-14(11)2/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeyRCZSMXCZMZWDRK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.83
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone

(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 79994014) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID79994014
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccn2C)C1
InChIInChI=1S/C12H19N3O/c1-9-6-10(13)8-15(7-9)12(16)11-4-3-5-14(11)2/h3-5,9-10H,6-8,13H2,1-2H3
InChIKeyRCZSMXCZMZWDRK-UHFFFAOYSA-N
XLogP0.83
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 133139984
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 120815383
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone (CID 79994014) is (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone is CC1CC(N)CN(C(=O)c2cccn2C)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is RCZSMXCZMZWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-10(13)8-15(7-9)12(16)11-4-3-5-14(11)2/h3-5,9-10H,6-8,13H2,1-2H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 79994014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).