N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

C22H29N3O — CID 3041481

IUPACN-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-22(26)25(21-11-7-8-14-23-21)18(2)17-24-15-12-20(13-16-24)19-9-5-4-6-10-19/h4-11,14,18,20H,3,12-13,15-17H2,1-2H3
InChIKeyTXPHBVIVGKVNRS-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide

N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 3041481) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID3041481
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(C)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-22(26)25(21-11-7-8-14-23-21)18(2)17-24-15-12-20(13-16-24)19-9-5-4-6-10-19/h4-11,14,18,20H,3,12-13,15-17H2,1-2H3
InChIKeyTXPHBVIVGKVNRS-UHFFFAOYSA-N
XLogP4.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide (CID 3041481) is N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(C)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is TXPHBVIVGKVNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-22(26)25(21-11-7-8-14-23-21)18(2)17-24-15-12-20(13-16-24)19-9-5-4-6-10-19/h4-11,14,18,20H,3,12-13,15-17H2,1-2H3.
What are the key properties of N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide?
N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3041481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).