N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide

C21H32N2O2 — CID 110348046

IUPACN-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-4-19(5-2)20(24)22-16(3)21(25)23-13-11-18(12-14-23)15-17-9-7-6-8-10-17/h6-10,16,18-19H,4-5,11-15H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyDIDRPJANIHFZRX-INIZCTEOSA-N
MW344.50 g/mol
LogP3.41
Rot. Bonds7

About N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide

N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide (PubChem CID 110348046) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
PubChem CID110348046
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-4-19(5-2)20(24)22-16(3)21(25)23-13-11-18(12-14-23)15-17-9-7-6-8-10-17/h6-10,16,18-19H,4-5,11-15H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyDIDRPJANIHFZRX-INIZCTEOSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
3-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,1-diethylurea
CID 110348074
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
CID 120500592
2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide
CID 108507028
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide?
The IUPAC name of N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide (CID 110348046) is N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide?
The canonical SMILES for N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide is CCC(CC)C(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide?
The InChIKey is DIDRPJANIHFZRX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-19(5-2)20(24)22-16(3)21(25)23-13-11-18(12-14-23)15-17-9-7-6-8-10-17/h6-10,16,18-19H,4-5,11-15H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide?
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide is sourced from PubChem (CID 110348046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).