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

C20H33N5O3 — CID 22260410

IUPACN-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCNCC1
InChIInChI=1S/C20H33N5O3/c21-15-20(6-8-22-9-7-20)24-18(26)17(14-16-4-2-1-3-5-16)23-19(27)25-10-12-28-13-11-25/h16-17,22H,1-14H2,(H,23,27)(H,24,26)
InChIKeyQTWJWIROFNYFSN-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.13
Rot. Bonds5

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

N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260410) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260410
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCNCC1
InChIInChI=1S/C20H33N5O3/c21-15-20(6-8-22-9-7-20)24-18(26)17(14-16-4-2-1-3-5-16)23-19(27)25-10-12-28-13-11-25/h16-17,22H,1-14H2,(H,23,27)(H,24,26)
InChIKeyQTWJWIROFNYFSN-UHFFFAOYSA-N
XLogP1.13
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260410) is N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is N#CC1(NC(=O)C(CC2CCCCC2)NC(=O)N2CCOCC2)CCNCC1.
What is the InChIKey of N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is QTWJWIROFNYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c21-15-20(6-8-22-9-7-20)24-18(26)17(14-16-4-2-1-3-5-16)23-19(27)25-10-12-28-13-11-25/h16-17,22H,1-14H2,(H,23,27)(H,24,26).
What are the key properties of N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanopiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).