N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H27N5O2 — CID 136535276

IUPACN-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCOC1CC(CCNC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-2-24-15-12-14(13-15)4-7-20-17(23)22-10-8-21(9-11-22)16-18-5-3-6-19-16/h3,5-6,14-15H,2,4,7-13H2,1H3,(H,20,23)
InChIKeyDZSWSTIDKFRDRI-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 136535276) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID136535276
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCOC1CC(CCNC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-2-24-15-12-14(13-15)4-7-20-17(23)22-10-8-21(9-11-22)16-18-5-3-6-19-16/h3,5-6,14-15H,2,4,7-13H2,1H3,(H,20,23)
InChIKeyDZSWSTIDKFRDRI-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propoxyethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 121495669
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974308
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94030354
N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 136535276) is N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCOC1CC(CCNC(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DZSWSTIDKFRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-24-15-12-14(13-15)4-7-20-17(23)22-10-8-21(9-11-22)16-18-5-3-6-19-16/h3,5-6,14-15H,2,4,7-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 136535276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).