(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide

C17H23N5O — CID 95595640

IUPAC(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)n1ccnc1
InChIInChI=1S/C17H23N5O/c1-14(22-12-9-18-13-22)17(23)20(2)15-6-10-21(11-7-15)16-5-3-4-8-19-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3/t14-/m1/s1
InChIKeySVLAWMQVFNTJPG-CQSZACIVSA-N
MW313.40 g/mol
LogP1.97
Rot. Bonds4

About (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide

(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide (PubChem CID 95595640) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
PubChem CID95595640
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)n1ccnc1
InChIInChI=1S/C17H23N5O/c1-14(22-12-9-18-13-22)17(23)20(2)15-6-10-21(11-7-15)16-5-3-4-8-19-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3/t14-/m1/s1
InChIKeySVLAWMQVFNTJPG-CQSZACIVSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide (CID 95595640) is (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide is C[C@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is SVLAWMQVFNTJPG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14(22-12-9-18-13-22)17(23)20(2)15-6-10-21(11-7-15)16-5-3-4-8-19-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide?
(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).