(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone

C16H24N4O — CID 62177305

IUPAC(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-7-17-15-6-3-13(12-18-15)16(21)20-10-8-19(9-11-20)14-4-5-14/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,17,18)
InChIKeyYKRGZVZLQXCXST-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.82
Rot. Bonds5

About (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone

(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone (PubChem CID 62177305) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
PubChem CID62177305
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-2-7-17-15-6-3-13(12-18-15)16(21)20-10-8-19(9-11-20)14-4-5-14/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,17,18)
InChIKeyYKRGZVZLQXCXST-UHFFFAOYSA-N
XLogP1.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(3-hydroxypropylamino)-3-pyridinyl]methanone
CID 56756423
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone (CID 62177305) is (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cn1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone?
The InChIKey is YKRGZVZLQXCXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-7-17-15-6-3-13(12-18-15)16(21)20-10-8-19(9-11-20)14-4-5-14/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,17,18).
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone has a molecular weight of 288.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62177305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).