(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide

C17H28N4O — CID 99697299

IUPAC(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H28N4O/c1-3-16(18)17(22)20(2)11-6-14-7-12-21(13-8-14)15-4-9-19-10-5-15/h4-5,9-10,14,16H,3,6-8,11-13,18H2,1-2H3/t16-/m1/s1
InChIKeyWUJRHCYNRVIPOK-MRXNPFEDSA-N
MW304.44 g/mol
LogP1.88
Rot. Bonds6

About (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide

(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide (PubChem CID 99697299) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
PubChem CID99697299
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H28N4O/c1-3-16(18)17(22)20(2)11-6-14-7-12-21(13-8-14)15-4-9-19-10-5-15/h4-5,9-10,14,16H,3,6-8,11-13,18H2,1-2H3/t16-/m1/s1
InChIKeyWUJRHCYNRVIPOK-MRXNPFEDSA-N
XLogP1.88
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-butanoyl-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]piperidine-2-carboxamide
CID 97255400
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
2-[[butylamino-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049577
1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one
CID 126784510
N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110049598
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395
2-[[[2-(furan-2-yl)ethylamino]-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110061274
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129072550
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide (CID 99697299) is (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide is CC[C@@H](N)C(=O)N(C)CCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is WUJRHCYNRVIPOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-16(18)17(22)20(2)11-6-14-7-12-21(13-8-14)15-4-9-19-10-5-15/h4-5,9-10,14,16H,3,6-8,11-13,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide?
(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 304.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 99697299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).