N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C24H40N6O4 — CID 22260588

IUPACN-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN(C)CC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H40N6O4/c1-28(2)17-21(31)29-10-8-24(18-25,9-11-29)27-22(32)20(16-19-6-4-3-5-7-19)26-23(33)30-12-14-34-15-13-30/h19-20H,3-17H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyRDBLQEOAVCFQPB-UHFFFAOYSA-N
MW476.62 g/mol
LogP0.93
Rot. Bonds7

About N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260588) has the molecular formula C24H40N6O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260588
Molecular FormulaC24H40N6O4
Molecular Weight476.62 g/mol
Exact Mass476.31
IUPAC NameN-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN(C)CC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H40N6O4/c1-28(2)17-21(31)29-10-8-24(18-25,9-11-29)27-22(32)20(16-19-6-4-3-5-7-19)26-23(33)30-12-14-34-15-13-30/h19-20H,3-17H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyRDBLQEOAVCFQPB-UHFFFAOYSA-N
XLogP0.93
TPSA118.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260588) is N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CN(C)CC(=O)N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is RDBLQEOAVCFQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O4/c1-28(2)17-21(31)29-10-8-24(18-25,9-11-29)27-22(32)20(16-19-6-4-3-5-7-19)26-23(33)30-12-14-34-15-13-30/h19-20H,3-17H2,1-2H3,(H,26,33)(H,27,32).
What are the key properties of N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyano-1-[2-(dimethylamino)acetyl]piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).