(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide

C12H25N3O — CID 157427714

IUPAC(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
SMILESCC[C@H](C(N)=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-5-10(11(13)16)14-6-8-15(9-7-14)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,16)/t10-/m1/s1
InChIKeyNDKUMJQBFXCFFJ-SNVBAGLBSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds3

About (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide

(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide (PubChem CID 157427714) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
PubChem CID157427714
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide
SMILESCC[C@H](C(N)=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-5-10(11(13)16)14-6-8-15(9-7-14)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,16)/t10-/m1/s1
InChIKeyNDKUMJQBFXCFFJ-SNVBAGLBSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2-(8-azaspiro[4.5]decan-8-yl)butanamide
CID 63159383
2-[4-(1-amino-1-oxobutan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62901402
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
ethyl (2S)-2-[7-tert-butyl-4,10-bis[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]-4-phenylbutanoate
CID 155007175
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 78945283
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 136511709
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
2-[(3R)-3-methylpiperazin-1-yl]butanamide
CID 104975725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide?
The IUPAC name of (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide (CID 157427714) is (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide?
The canonical SMILES for (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide is CC[C@H](C(N)=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide?
The InChIKey is NDKUMJQBFXCFFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10(11(13)16)14-6-8-15(9-7-14)12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide?
(2R)-2-(4-tert-butylpiperazin-1-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylpiperazin-1-yl)butanamide is sourced from PubChem (CID 157427714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).