1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide

C15H24N4O2 — CID 103194095

IUPAC1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C15H24N4O2/c1-3-6-18-10-12(16)8-13(18)15(21)19-7-4-5-11(9-19)14(20)17-2/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,20)
InChIKeyXOKYWDUBIKBCBS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.08
Rot. Bonds4

About 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide

1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194095) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194095
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C15H24N4O2/c1-3-6-18-10-12(16)8-13(18)15(21)19-7-4-5-11(9-19)14(20)17-2/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,20)
InChIKeyXOKYWDUBIKBCBS-UHFFFAOYSA-N
XLogP1.08
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
(4-amino-1-propylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63149723
(4-amino-1-propylpyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209719
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187908
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032165
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide (CID 103194095) is 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide is CCCn1cc(N)cc1C(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is XOKYWDUBIKBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-6-18-10-12(16)8-13(18)15(21)19-7-4-5-11(9-19)14(20)17-2/h8,10-11H,3-7,9,16H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide?
1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).