N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide

C10H21N3O — CID 104976946

IUPACN-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
SMILESCNC(=O)CCCN1CCN[C@@H](C)C1
InChIInChI=1S/C10H21N3O/c1-9-8-13(7-5-12-9)6-3-4-10(14)11-2/h9,12H,3-8H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyXCBBFUHSQCKSCJ-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds4

About N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide

N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide (PubChem CID 104976946) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
PubChem CID104976946
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
SMILESCNC(=O)CCCN1CCN[C@@H](C)C1
InChIInChI=1S/C10H21N3O/c1-9-8-13(7-5-12-9)6-3-4-10(14)11-2/h9,12H,3-8H2,1-2H3,(H,11,14)/t9-/m0/s1
InChIKeyXCBBFUHSQCKSCJ-VIFPVBQESA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
CID 9942336
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 24906298
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
3-Ethylpiperazin-2-one
CID 4712457
2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
1-(Piperazin-1-yl)butan-1-one
CID 10749434
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
(R)-2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 10058240

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide?
The IUPAC name of N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide (CID 104976946) is N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide is CNC(=O)CCCN1CCN[C@@H](C)C1.
What is the InChIKey of N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide?
The InChIKey is XCBBFUHSQCKSCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-9-8-13(7-5-12-9)6-3-4-10(14)11-2/h9,12H,3-8H2,1-2H3,(H,11,14)/t9-/m0/s1.
What are the key properties of N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide?
N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide is sourced from PubChem (CID 104976946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).