N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide

C18H25N5O3 — CID 167991173

IUPACN-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESNC(=O)C1CCN(c2ccc(CNC(=O)C3CNC(=O)CN3)cc2)CC1
InChIInChI=1S/C18H25N5O3/c19-17(25)13-5-7-23(8-6-13)14-3-1-12(2-4-14)9-22-18(26)15-10-21-16(24)11-20-15/h1-4,13,15,20H,5-11H2,(H2,19,25)(H,21,24)(H,22,26)
InChIKeyWADLQHLRHKECHN-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.91
Rot. Bonds5

About N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide

N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 167991173) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
PubChem CID167991173
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESNC(=O)C1CCN(c2ccc(CNC(=O)C3CNC(=O)CN3)cc2)CC1
InChIInChI=1S/C18H25N5O3/c19-17(25)13-5-7-23(8-6-13)14-3-1-12(2-4-14)9-22-18(26)15-10-21-16(24)11-20-15/h1-4,13,15,20H,5-11H2,(H2,19,25)(H,21,24)(H,22,26)
InChIKeyWADLQHLRHKECHN-UHFFFAOYSA-N
XLogP-0.91
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide (CID 167991173) is N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide is NC(=O)C1CCN(c2ccc(CNC(=O)C3CNC(=O)CN3)cc2)CC1.
What is the InChIKey of N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is WADLQHLRHKECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c19-17(25)13-5-7-23(8-6-13)14-3-1-12(2-4-14)9-22-18(26)15-10-21-16(24)11-20-15/h1-4,13,15,20H,5-11H2,(H2,19,25)(H,21,24)(H,22,26).
What are the key properties of N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of -0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 167991173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).