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

C14H23N3O — CID 79994432

IUPAC(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C14H23N3O/c1-3-6-16-7-4-5-13(16)14(18)17-9-11(2)8-12(15)10-17/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3
InChIKeyBTSDPJAGICBOQL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds3

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

(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone (PubChem CID 79994432) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
PubChem CID79994432
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C14H23N3O/c1-3-6-16-7-4-5-13(16)14(18)17-9-11(2)8-12(15)10-17/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3
InChIKeyBTSDPJAGICBOQL-UHFFFAOYSA-N
XLogP1.71
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
(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-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 103357517
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone (CID 79994432) is (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CC(C)CC(N)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The InChIKey is BTSDPJAGICBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-16-7-4-5-13(16)14(18)17-9-11(2)8-12(15)10-17/h4-5,7,11-12H,3,6,8-10,15H2,1-2H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.71, 3 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-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 79994432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).