(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C15H24N4O — CID 61114248

IUPAC(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C15H24N4O/c16-12-10-14(17-11-12)15(20)19-8-4-13(5-9-19)18-6-2-1-3-7-18/h10-11,13,17H,1-9,16H2
InChIKeyQYLDSGZJCBMNLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds2

About (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61114248) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID61114248
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C15H24N4O/c16-12-10-14(17-11-12)15(20)19-8-4-13(5-9-19)18-6-2-1-3-7-18/h10-11,13,17H,1-9,16H2
InChIKeyQYLDSGZJCBMNLJ-UHFFFAOYSA-N
XLogP1.69
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 61110354
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-1H-pyrrol-2-yl)methanone
CID 115558672
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62160832
5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 125130874
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 61114248) is (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Nc1c[nH]c(C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is QYLDSGZJCBMNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-12-10-14(17-11-12)15(20)19-8-4-13(5-9-19)18-6-2-1-3-7-18/h10-11,13,17H,1-9,16H2.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).