(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone

C20H24N4O — CID 109223799

IUPAC(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(17-12-19(14-21-13-17)22-18-6-7-18)24-10-8-23(9-11-24)15-16-4-2-1-3-5-16/h1-5,12-14,18,22H,6-11,15H2
InChIKeyCDPOGBUSECMJKT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.61
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone (PubChem CID 109223799) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
PubChem CID109223799
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NC2CC2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(17-12-19(14-21-13-17)22-18-6-7-18)24-10-8-23(9-11-24)15-16-4-2-1-3-5-16/h1-5,12-14,18,22H,6-11,15H2
InChIKeyCDPOGBUSECMJKT-UHFFFAOYSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109223817
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109237470
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
5-(cyclopropylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109223789

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone (CID 109223799) is (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone is O=C(c1cncc(NC2CC2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone?
The InChIKey is CDPOGBUSECMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(17-12-19(14-21-13-17)22-18-6-7-18)24-10-8-23(9-11-24)15-16-4-2-1-3-5-16/h1-5,12-14,18,22H,6-11,15H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109223799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).