1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide

C20H29N3O2 — CID 6458868

IUPAC1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-12-23(13-9-18)19(24)15-22-10-6-17(7-11-22)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,21,25)
InChIKeyVJTUSYASFUNLEO-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 6458868) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID6458868
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c21-20(25)18-8-12-23(13-9-18)19(24)15-22-10-6-17(7-11-22)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,21,25)
InChIKeyVJTUSYASFUNLEO-UHFFFAOYSA-N
XLogP1.66
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide (CID 6458868) is 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is VJTUSYASFUNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(25)18-8-12-23(13-9-18)19(24)15-22-10-6-17(7-11-22)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H2,21,25).
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 6458868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).