(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

C15H26N4O — CID 43644030

IUPAC(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-4-7-19-11-12(16)10-14(19)15(20)18-8-5-13(6-9-18)17(2)3/h10-11,13H,4-9,16H2,1-3H3
InChIKeyXUSNIEMQYJEXHN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds4

About (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 43644030) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID43644030
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-4-7-19-11-12(16)10-14(19)15(20)18-8-5-13(6-9-18)17(2)3/h10-11,13H,4-9,16H2,1-3H3
InChIKeyXUSNIEMQYJEXHN-UHFFFAOYSA-N
XLogP1.65
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-propylpyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43642162
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187908
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
(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-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103194095
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 43644030) is (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CCCn1cc(N)cc1C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is XUSNIEMQYJEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-19-11-12(16)10-14(19)15(20)18-8-5-13(6-9-18)17(2)3/h10-11,13H,4-9,16H2,1-3H3.
What are the key properties of (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43644030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).