N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C15H24N4O2 — CID 3309931

IUPACN-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-2-21-11-5-9-16-14(20)13-6-3-10-19(12-13)15-17-7-4-8-18-15/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,16,20)
InChIKeyLWYQGRXRAFPNDM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.24
Rot. Bonds7

About N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3309931) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3309931
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H24N4O2/c1-2-21-11-5-9-16-14(20)13-6-3-10-19(12-13)15-17-7-4-8-18-15/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,16,20)
InChIKeyLWYQGRXRAFPNDM-UHFFFAOYSA-N
XLogP1.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.24
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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Related Compounds

(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829
(3S)-N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 93070704
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115533
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006548
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3309931) is N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCOCCCNC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is LWYQGRXRAFPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-21-11-5-9-16-14(20)13-6-3-10-19(12-13)15-17-7-4-8-18-15/h4,7-8,13H,2-3,5-6,9-12H2,1H3,(H,16,20).
What are the key properties of N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3309931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).