N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C23H32ClN5O3 — CID 22260435

IUPACN-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H32ClN5O3/c1-2-9-28-10-7-23(17-25,8-11-28)27-21(30)20(16-18-3-5-19(24)6-4-18)26-22(31)29-12-14-32-15-13-29/h3-6,20H,2,7-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyRZAAJFYVDRDTGC-UHFFFAOYSA-N
MW461.99 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260435) has the molecular formula C23H32ClN5O3 and a molecular weight of 461.99 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260435
Molecular FormulaC23H32ClN5O3
Molecular Weight461.99 g/mol
Exact Mass461.22
IUPAC NameN-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H32ClN5O3/c1-2-9-28-10-7-23(17-25,8-11-28)27-21(30)20(16-18-3-5-19(24)6-4-18)26-22(31)29-12-14-32-15-13-29/h3-6,20H,2,7-16H2,1H3,(H,26,31)(H,27,30)
InChIKeyRZAAJFYVDRDTGC-UHFFFAOYSA-N
XLogP2.18
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260435) is N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is CCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)cc2)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is RZAAJFYVDRDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O3/c1-2-9-28-10-7-23(17-25,8-11-28)27-21(30)20(16-18-3-5-19(24)6-4-18)26-22(31)29-12-14-32-15-13-29/h3-6,20H,2,7-16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 461.99 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-[(4-cyano-1-propylpiperidin-4-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).