N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide

C19H30N4O2 — CID 95977877

IUPACN-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-12-6-7-16(14-23)13-22-19(25)21-11-10-20-18(24)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t16-/m0/s1
InChIKeyATTGVEFAXQBSFG-INIZCTEOSA-N
MW346.48 g/mol
LogP1.84
Rot. Bonds7

About N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide

N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide (PubChem CID 95977877) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
PubChem CID95977877
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-12-6-7-16(14-23)13-22-19(25)21-11-10-20-18(24)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t16-/m0/s1
InChIKeyATTGVEFAXQBSFG-INIZCTEOSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 53464585
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide (CID 95977877) is N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide is CC(C)N1CCC[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide?
The InChIKey is ATTGVEFAXQBSFG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)23-12-6-7-16(14-23)13-22-19(25)21-11-10-20-18(24)17-8-4-3-5-9-17/h3-5,8-9,15-16H,6-7,10-14H2,1-2H3,(H,20,24)(H2,21,22,25)/t16-/m0/s1.
What are the key properties of N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide?
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide has a molecular weight of 346.48 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide is sourced from PubChem (CID 95977877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).