(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone

C13H21N3O — CID 120815383

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C13H21N3O/c1-13(2)9-16(8-6-11(13)14)12(17)10-5-4-7-15(10)3/h4-5,7,11H,6,8-9,14H2,1-3H3
InChIKeyKBUHWKYJVVUTRT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.22
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 120815383) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID120815383
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C13H21N3O/c1-13(2)9-16(8-6-11(13)14)12(17)10-5-4-7-15(10)3/h4-5,7,11H,6,8-9,14H2,1-3H3
InChIKeyKBUHWKYJVVUTRT-UHFFFAOYSA-N
XLogP1.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methyl-5-nitropyrrol-2-yl)methanone
CID 120816822
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone (CID 120815383) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is KBUHWKYJVVUTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)9-16(8-6-11(13)14)12(17)10-5-4-7-15(10)3/h4-5,7,11H,6,8-9,14H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 120815383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).