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

C27H45N5O3 — CID 22260580

IUPACN-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(CC2CCCCC2)CC1
InChIInChI=1S/C27H45N5O3/c28-21-27(11-13-31(14-12-27)20-23-9-5-2-6-10-23)30-25(33)24(19-22-7-3-1-4-8-22)29-26(34)32-15-17-35-18-16-32/h22-24H,1-20H2,(H,29,34)(H,30,33)
InChIKeyANRFAYAZCNKWQN-UHFFFAOYSA-N
MW487.69 g/mol
LogP3.42
Rot. Bonds7

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

N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260580) has the molecular formula C27H45N5O3 and a molecular weight of 487.69 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260580
Molecular FormulaC27H45N5O3
Molecular Weight487.69 g/mol
Exact Mass487.35
IUPAC NameN-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(CC2CCCCC2)CC1
InChIInChI=1S/C27H45N5O3/c28-21-27(11-13-31(14-12-27)20-23-9-5-2-6-10-23)30-25(33)24(19-22-7-3-1-4-8-22)29-26(34)32-15-17-35-18-16-32/h22-24H,1-20H2,(H,29,34)(H,30,33)
InChIKeyANRFAYAZCNKWQN-UHFFFAOYSA-N
XLogP3.42
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260580) is N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is ANRFAYAZCNKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N5O3/c28-21-27(11-13-31(14-12-27)20-23-9-5-2-6-10-23)30-25(33)24(19-22-7-3-1-4-8-22)29-26(34)32-15-17-35-18-16-32/h22-24H,1-20H2,(H,29,34)(H,30,33).
What are the key properties of N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 487.69 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).