(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide

C19H31N3O — CID 119844945

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O/c1-14-7-5-6-12-22(14)13-15-8-10-16(11-9-15)21-18(23)17(20)19(2,3)4/h8-11,14,17H,5-7,12-13,20H2,1-4H3,(H,21,23)/t14?,17-/m1/s1
InChIKeyMEUZBVQOSMGIPN-FBMWCMRBSA-N
MW317.48 g/mol
LogP3.37
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide (PubChem CID 119844945) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
PubChem CID119844945
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O/c1-14-7-5-6-12-22(14)13-15-8-10-16(11-9-15)21-18(23)17(20)19(2,3)4/h8-11,14,17H,5-7,12-13,20H2,1-4H3,(H,21,23)/t14?,17-/m1/s1
InChIKeyMEUZBVQOSMGIPN-FBMWCMRBSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide (CID 119844945) is (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide is CC1CCCCN1Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is MEUZBVQOSMGIPN-FBMWCMRBSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-7-5-6-12-22(14)13-15-8-10-16(11-9-15)21-18(23)17(20)19(2,3)4/h8-11,14,17H,5-7,12-13,20H2,1-4H3,(H,21,23)/t14?,17-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 317.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 119844945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).