(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide

C16H25N3O2 — CID 119866158

IUPAC(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-13(17)16(20)18-12-8-10-19(11-9-12)14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyLVEITGFVZDGKRQ-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide

(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide (PubChem CID 119866158) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
PubChem CID119866158
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H25N3O2/c1-3-13(17)16(20)18-12-8-10-19(11-9-12)14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyLVEITGFVZDGKRQ-ZDUSSCGKSA-N
XLogP1.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119866151
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
CID 124614264
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide (CID 119866158) is (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide is CC[C@H](N)C(=O)NC1CCN(c2ccccc2OC)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide?
The InChIKey is LVEITGFVZDGKRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-13(17)16(20)18-12-8-10-19(11-9-12)14-6-4-5-7-15(14)21-2/h4-7,12-13H,3,8-11,17H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide?
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 119866158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).