N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C14H27N3O2 — CID 113104298

IUPACN-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-12(2)15-14(18)17-8-6-16(7-9-17)11-13-5-4-10-19-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyOFVBMHLIWNFIOV-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds4

About N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113104298) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113104298
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H27N3O2/c1-3-12(2)15-14(18)17-8-6-16(7-9-17)11-13-5-4-10-19-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyOFVBMHLIWNFIOV-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 61164059
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113104298) is N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OFVBMHLIWNFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-12(2)15-14(18)17-8-6-16(7-9-17)11-13-5-4-10-19-13/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).