N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide

C15H21N5O4 — CID 56907460

IUPACN-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCNCC2C(=O)NC2CC2)c1=O
InChIInChI=1S/C15H21N5O4/c1-19-14(23)9(7-17-15(19)24)6-12(21)20-5-4-16-8-11(20)13(22)18-10-2-3-10/h7,10-11,16H,2-6,8H2,1H3,(H,17,24)(H,18,22)
InChIKeyANEYZVDPJKYSJU-UHFFFAOYSA-N
MW335.36 g/mol
LogP-2.30
Rot. Bonds4

About N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide

N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide (PubChem CID 56907460) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide
PubChem CID56907460
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCNCC2C(=O)NC2CC2)c1=O
InChIInChI=1S/C15H21N5O4/c1-19-14(23)9(7-17-15(19)24)6-12(21)20-5-4-16-8-11(20)13(22)18-10-2-3-10/h7,10-11,16H,2-6,8H2,1H3,(H,17,24)(H,18,22)
InChIKeyANEYZVDPJKYSJU-UHFFFAOYSA-N
XLogP-2.30
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide (CID 56907460) is N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide is Cn1c(=O)[nH]cc(CC(=O)N2CCNCC2C(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is ANEYZVDPJKYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-19-14(23)9(7-17-15(19)24)6-12(21)20-5-4-16-8-11(20)13(22)18-10-2-3-10/h7,10-11,16H,2-6,8H2,1H3,(H,17,24)(H,18,22).
What are the key properties of N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide?
N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of -2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 56907460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).