N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide

C19H30N4O2 — CID 95598613

IUPACN-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)NCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-10-6-9-17(14-23)12-21-19(25)22-13-18(24)20-11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t17-/m0/s1
InChIKeyILRAZGWVQNULEH-KRWDZBQOSA-N
MW346.48 g/mol
LogP1.72
Rot. Bonds7

About N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide

N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide (PubChem CID 95598613) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
PubChem CID95598613
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)NCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-10-6-9-17(14-23)12-21-19(25)22-13-18(24)20-11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t17-/m0/s1
InChIKeyILRAZGWVQNULEH-KRWDZBQOSA-N
XLogP1.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
N-benzyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]acetamide
CID 166182609
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
2-methyl-1-(2-phenylethyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111135193
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide?
The IUPAC name of N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide (CID 95598613) is N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide?
The canonical SMILES for N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide is CC(C)N1CCC[C@@H](CNC(=O)NCC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide?
The InChIKey is ILRAZGWVQNULEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)23-10-6-9-17(14-23)12-21-19(25)22-13-18(24)20-11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t17-/m0/s1.
What are the key properties of N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide?
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide is sourced from PubChem (CID 95598613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).