2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide

C17H28N4O — CID 75441423

IUPAC2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide
SMILESCCC(C(=O)NCC1CCN(c2ccncc2)CC1)N(C)C
InChIInChI=1S/C17H28N4O/c1-4-16(20(2)3)17(22)19-13-14-7-11-21(12-8-14)15-5-9-18-10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,19,22)
InChIKeyCGVATRZIQRKSAW-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.75
Rot. Bonds6

About 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide

2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide (PubChem CID 75441423) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide
PubChem CID75441423
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide
SMILESCCC(C(=O)NCC1CCN(c2ccncc2)CC1)N(C)C
InChIInChI=1S/C17H28N4O/c1-4-16(20(2)3)17(22)19-13-14-7-11-21(12-8-14)15-5-9-18-10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,19,22)
InChIKeyCGVATRZIQRKSAW-UHFFFAOYSA-N
XLogP1.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide (CID 75441423) is 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide is CCC(C(=O)NCC1CCN(c2ccncc2)CC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide?
The InChIKey is CGVATRZIQRKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-16(20(2)3)17(22)19-13-14-7-11-21(12-8-14)15-5-9-18-10-6-15/h5-6,9-10,14,16H,4,7-8,11-13H2,1-3H3,(H,19,22).
What are the key properties of 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide?
2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide has a molecular weight of 304.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 75441423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).