2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide

C20H26N4O2 — CID 70756781

IUPAC2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C20H26N4O2/c21-15-20(17-6-2-1-3-7-17)8-11-24(12-9-20)19(26)16-5-4-10-23(13-16)14-18(22)25/h1-3,6-7,16H,4-5,8-14H2,(H2,22,25)
InChIKeyBFDNDFIUDNKEEP-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.27
Rot. Bonds4

About 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide

2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 70756781) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID70756781
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C20H26N4O2/c21-15-20(17-6-2-1-3-7-17)8-11-24(12-9-20)19(26)16-5-4-10-23(13-16)14-18(22)25/h1-3,6-7,16H,4-5,8-14H2,(H2,22,25)
InChIKeyBFDNDFIUDNKEEP-UHFFFAOYSA-N
XLogP1.27
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide (CID 70756781) is 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide is N#CC1(c2ccccc2)CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1.
What is the InChIKey of 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is BFDNDFIUDNKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-15-20(17-6-2-1-3-7-17)8-11-24(12-9-20)19(26)16-5-4-10-23(13-16)14-18(22)25/h1-3,6-7,16H,4-5,8-14H2,(H2,22,25).
What are the key properties of 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide?
2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 70756781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).