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

C27H44N6O4 — CID 22260560

IUPACN-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C(=O)N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C27H44N6O4/c1-31-11-7-22(8-12-31)25(35)32-13-9-27(20-28,10-14-32)30-24(34)23(19-21-5-3-2-4-6-21)29-26(36)33-15-17-37-18-16-33/h21-23H,2-19H2,1H3,(H,29,36)(H,30,34)
InChIKeyZDXHVURUGOAYEY-UHFFFAOYSA-N
MW516.69 g/mol
LogP1.71
Rot. Bonds6

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

N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260560) has the molecular formula C27H44N6O4 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260560
Molecular FormulaC27H44N6O4
Molecular Weight516.69 g/mol
Exact Mass516.34
IUPAC NameN-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCN1CCC(C(=O)N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C27H44N6O4/c1-31-11-7-22(8-12-31)25(35)32-13-9-27(20-28,10-14-32)30-24(34)23(19-21-5-3-2-4-6-21)29-26(36)33-15-17-37-18-16-33/h21-23H,2-19H2,1H3,(H,29,36)(H,30,34)
InChIKeyZDXHVURUGOAYEY-UHFFFAOYSA-N
XLogP1.71
TPSA118.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 51.71
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-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260560) is N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CN1CCC(C(=O)N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is ZDXHVURUGOAYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N6O4/c1-31-11-7-22(8-12-31)25(35)32-13-9-27(20-28,10-14-32)30-24(34)23(19-21-5-3-2-4-6-21)29-26(36)33-15-17-37-18-16-33/h21-23H,2-19H2,1H3,(H,29,36)(H,30,34).
What are the key properties of N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 516.69 g/mol, XLogP of 1.71, 6 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-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).