N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide

C19H26ClN5O3 — CID 56763315

IUPACN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
SMILESNC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H26ClN5O3/c20-15-1-3-16(4-2-15)23-9-11-25(12-10-23)19(28)22-13-17(26)24-7-5-14(6-8-24)18(21)27/h1-4,14H,5-13H2,(H2,21,27)(H,22,28)
InChIKeyKGAJOEFMZVZFLD-UHFFFAOYSA-N
MW407.90 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide

N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 56763315) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID56763315
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide
SMILESNC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C19H26ClN5O3/c20-15-1-3-16(4-2-15)23-9-11-25(12-10-23)19(28)22-13-17(26)24-7-5-14(6-8-24)18(21)27/h1-4,14H,5-13H2,(H2,21,27)(H,22,28)
InChIKeyKGAJOEFMZVZFLD-UHFFFAOYSA-N
XLogP0.90
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119871472
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119871496
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide (CID 56763315) is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide is NC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is KGAJOEFMZVZFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O3/c20-15-1-3-16(4-2-15)23-9-11-25(12-10-23)19(28)22-13-17(26)24-7-5-14(6-8-24)18(21)27/h1-4,14H,5-13H2,(H2,21,27)(H,22,28).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56763315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).