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

C27H39N5O4 — CID 22260612

IUPACN-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccccc1N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H39N5O4/c1-35-24-10-6-5-9-23(24)31-13-11-27(20-28,12-14-31)30-25(33)22(19-21-7-3-2-4-8-21)29-26(34)32-15-17-36-18-16-32/h5-6,9-10,21-22H,2-4,7-8,11-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyKUNOGTXOYDGISF-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.05
Rot. Bonds7

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

N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260612) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260612
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC NameN-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccccc1N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H39N5O4/c1-35-24-10-6-5-9-23(24)31-13-11-27(20-28,12-14-31)30-25(33)22(19-21-7-3-2-4-8-21)29-26(34)32-15-17-36-18-16-32/h5-6,9-10,21-22H,2-4,7-8,11-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyKUNOGTXOYDGISF-UHFFFAOYSA-N
XLogP3.05
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-[1-[[3-cyano-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260441
N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260593
N-[1-[[3-cyano-1-(5,5-dimethyl-3-oxocyclohexen-1-yl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260507
N-[1-[(4-cyano-1,2-dipropylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260427
N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260549
tert-butyl N-[1-[(4-cyanooxan-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 22260478
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260603
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
CID 24900859
N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59414130
benzyl N-[N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate;molecular hydrogen
CID 158138476
N-[1-[(3-cyanopyrrolidin-3-yl)-(1-phenylethyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 172791958

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260612) is N-[1-[[4-cyano-1-(2-methoxyphenyl)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-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is COc1ccccc1N1CCC(C#N)(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is KUNOGTXOYDGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-35-24-10-6-5-9-23(24)31-13-11-27(20-28,12-14-31)30-25(33)22(19-21-7-3-2-4-8-21)29-26(34)32-15-17-36-18-16-32/h5-6,9-10,21-22H,2-4,7-8,11-19H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-(2-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.05, 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-methoxyphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).