(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone

C12H19N3O — CID 115276130

IUPAC(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)CC(N)CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c1-12(2)8-9(13)5-7-15(12)11(16)10-4-3-6-14-10/h3-4,6,9,14H,5,7-8,13H2,1-2H3
InChIKeySVDZGZCUFJOUJO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds1

About (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone

(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 115276130) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID115276130
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)CC(N)CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c1-12(2)8-9(13)5-7-15(12)11(16)10-4-3-6-14-10/h3-4,6,9,14H,5,7-8,13H2,1-2H3
InChIKeySVDZGZCUFJOUJO-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115275915
(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 81457630
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276129
2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine
CID 115276116
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 63606368
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364121
(4-amino-2,2-dimethylpyrrolidin-1-yl)-(2,3,4-trimethylphenyl)methanone
CID 115275670
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 95906377
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
2,8-diazaspiro[4.5]decan-8-yl(1H-pyrrol-2-yl)methanone
CID 115276474

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 115276130) is (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is CC1(C)CC(N)CCN1C(=O)c1ccc[nH]1.
What is the InChIKey of (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is SVDZGZCUFJOUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)8-9(13)5-7-15(12)11(16)10-4-3-6-14-10/h3-4,6,9,14H,5,7-8,13H2,1-2H3.
What are the key properties of (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 115276130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).