4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide

C24H40N6O3 — CID 22260505

IUPAC4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NC(CC2CCCCC2)C(=O)NC2(C#N)CCN(C)CC2)CC1
InChIInChI=1S/C24H40N6O3/c1-18(31)26-20-8-12-30(13-9-20)23(33)27-21(16-19-6-4-3-5-7-19)22(32)28-24(17-25)10-14-29(2)15-11-24/h19-21H,3-16H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)
InChIKeyJIODNNLAZVZRCF-UHFFFAOYSA-N
MW460.62 g/mol
LogP1.74
Rot. Bonds6

About 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide

4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide (PubChem CID 22260505) has the molecular formula C24H40N6O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide
PubChem CID22260505
Molecular FormulaC24H40N6O3
Molecular Weight460.62 g/mol
Exact Mass460.32
IUPAC Name4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCN(C(=O)NC(CC2CCCCC2)C(=O)NC2(C#N)CCN(C)CC2)CC1
InChIInChI=1S/C24H40N6O3/c1-18(31)26-20-8-12-30(13-9-20)23(33)27-21(16-19-6-4-3-5-7-19)22(32)28-24(17-25)10-14-29(2)15-11-24/h19-21H,3-16H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)
InChIKeyJIODNNLAZVZRCF-UHFFFAOYSA-N
XLogP1.74
TPSA117.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide (CID 22260505) is 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide is CC(=O)NC1CCN(C(=O)NC(CC2CCCCC2)C(=O)NC2(C#N)CCN(C)CC2)CC1.
What is the InChIKey of 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
The InChIKey is JIODNNLAZVZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O3/c1-18(31)26-20-8-12-30(13-9-20)23(33)27-21(16-19-6-4-3-5-7-19)22(32)28-24(17-25)10-14-29(2)15-11-24/h19-21H,3-16H2,1-2H3,(H,26,31)(H,27,33)(H,28,32).
What are the key properties of 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide?
4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 22260505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).