1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide

C17H25N5O3 — CID 136662283

IUPAC1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)C2CCCCN2C(=O)C2CC2)n1
InChIInChI=1S/C17H25N5O3/c1-11-10-14(23)21-17(20-11)19-8-7-18-15(24)13-4-2-3-9-22(13)16(25)12-5-6-12/h10,12-13H,2-9H2,1H3,(H,18,24)(H2,19,20,21,23)
InChIKeyIJQPKAILUOFRHF-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.40
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide (PubChem CID 136662283) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide
PubChem CID136662283
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)C2CCCCN2C(=O)C2CC2)n1
InChIInChI=1S/C17H25N5O3/c1-11-10-14(23)21-17(20-11)19-8-7-18-15(24)13-4-2-3-9-22(13)16(25)12-5-6-12/h10,12-13H,2-9H2,1H3,(H,18,24)(H2,19,20,21,23)
InChIKeyIJQPKAILUOFRHF-UHFFFAOYSA-N
XLogP0.40
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.40
H-Bond Donors ≤ 53
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-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide (CID 136662283) is 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide is Cc1cc(=O)[nH]c(NCCNC(=O)C2CCCCN2C(=O)C2CC2)n1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide?
The InChIKey is IJQPKAILUOFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-10-14(23)21-17(20-11)19-8-7-18-15(24)13-4-2-3-9-22(13)16(25)12-5-6-12/h10,12-13H,2-9H2,1H3,(H,18,24)(H2,19,20,21,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 136662283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).