1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C18H27N5O2 — CID 53102132

IUPAC1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-14-5-9-20-18(21-14)23-12-6-15(7-13-23)17(25)19-8-3-11-22-10-2-4-16(22)24/h5,9,15H,2-4,6-8,10-13H2,1H3,(H,19,25)
InChIKeyKHBPNMVFSOWQHP-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.13
Rot. Bonds6

About 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 53102132) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID53102132
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-14-5-9-20-18(21-14)23-12-6-15(7-13-23)17(25)19-8-3-11-22-10-2-4-16(22)24/h5,9,15H,2-4,6-8,10-13H2,1H3,(H,19,25)
InChIKeyKHBPNMVFSOWQHP-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 53102132) is 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is KHBPNMVFSOWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-5-9-20-18(21-14)23-12-6-15(7-13-23)17(25)19-8-3-11-22-10-2-4-16(22)24/h5,9,15H,2-4,6-8,10-13H2,1H3,(H,19,25).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53102132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).