N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide

C14H29N3O — CID 163271287

IUPACN-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC(=O)N[C@H](CN1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)14(15-13(5)18)10-16-6-8-17(9-7-16)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,15,18)/t14-/m1/s1
InChIKeyIIAJCBYKPVFSFO-CQSZACIVSA-N
MW255.41 g/mol
LogP1.17
Rot. Bonds5

About N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide

N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide (PubChem CID 163271287) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
PubChem CID163271287
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
SMILESCC(=O)N[C@H](CN1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)14(15-13(5)18)10-16-6-8-17(9-7-16)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,15,18)/t14-/m1/s1
InChIKeyIIAJCBYKPVFSFO-CQSZACIVSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide (CID 163271287) is N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide is CC(=O)N[C@H](CN1CCN(C(C)C)CC1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide?
The InChIKey is IIAJCBYKPVFSFO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)14(15-13(5)18)10-16-6-8-17(9-7-16)12(3)4/h11-12,14H,6-10H2,1-5H3,(H,15,18)/t14-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide?
N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 163271287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).