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

C23H31Cl2N5O3 — CID 22260412

IUPACN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H31Cl2N5O3/c1-2-7-29-8-5-23(16-26,6-9-29)28-21(31)20(15-17-3-4-18(24)19(25)14-17)27-22(32)30-10-12-33-13-11-30/h3-4,14,20H,2,5-13,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyKFLRFXOJSWLCPS-UHFFFAOYSA-N
MW496.44 g/mol
LogP2.83
Rot. Bonds7

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

N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260412) has the molecular formula C23H31Cl2N5O3 and a molecular weight of 496.44 g/mol. Its IUPAC name is N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260412
Molecular FormulaC23H31Cl2N5O3
Molecular Weight496.44 g/mol
Exact Mass495.18
IUPAC NameN-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H31Cl2N5O3/c1-2-7-29-8-5-23(16-26,6-9-29)28-21(31)20(15-17-3-4-18(24)19(25)14-17)27-22(32)30-10-12-33-13-11-30/h3-4,14,20H,2,5-13,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyKFLRFXOJSWLCPS-UHFFFAOYSA-N
XLogP2.83
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.44
LogP ≤ 52.83
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-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260412) is N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide is CCCN1CCC(C#N)(NC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is KFLRFXOJSWLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl2N5O3/c1-2-7-29-8-5-23(16-26,6-9-29)28-21(31)20(15-17-3-4-18(24)19(25)14-17)27-22(32)30-10-12-33-13-11-30/h3-4,14,20H,2,5-13,15H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 496.44 g/mol, XLogP of 2.83, 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-propylpiperidin-4-yl)amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).