N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C14H22N4O2 — CID 651470

IUPACN-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-3-8-15-13(19)12-4-9-18(10-5-12)14-16-6-2-7-17-14/h2,6-7,12H,3-5,8-11H2,1H3,(H,15,19)
InChIKeyIIMMVMGYYIHSCS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.85
Rot. Bonds6

About N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 651470) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID651470
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-20-11-3-8-15-13(19)12-4-9-18(10-5-12)14-16-6-2-7-17-14/h2,6-7,12H,3-5,8-11H2,1H3,(H,15,19)
InChIKeyIIMMVMGYYIHSCS-UHFFFAOYSA-N
XLogP0.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.85
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

N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-(3-methoxypropyl)-1-(3-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46333914
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
N-(3-methoxypropyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392077
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 651470) is N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is IIMMVMGYYIHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-11-3-8-15-13(19)12-4-9-18(10-5-12)14-16-6-2-7-17-14/h2,6-7,12H,3-5,8-11H2,1H3,(H,15,19).
What are the key properties of N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 651470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).