N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide

C19H30N4O2 — CID 95154688

IUPACN,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-13-8-10-23(11-9-13)14(2)12-21-19(25)22-17-7-5-6-16(15(17)3)18(24)20-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyVTIMBQQVZZYZBQ-CQSZACIVSA-N
MW346.48 g/mol
LogP2.60
Rot. Bonds5

About N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide

N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide (PubChem CID 95154688) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
PubChem CID95154688
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1C
InChIInChI=1S/C19H30N4O2/c1-13-8-10-23(11-9-13)14(2)12-21-19(25)22-17-7-5-6-16(15(17)3)18(24)20-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyVTIMBQQVZZYZBQ-CQSZACIVSA-N
XLogP2.60
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
CID 95154757
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
CID 95239461
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
3-[[2-(diethylamino)-3-phenylpropyl]carbamoylamino]-N,2-dimethylbenzamide
CID 86988480
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide (CID 95154688) is N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide is CNC(=O)c1cccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)c1C.
What is the InChIKey of N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide?
The InChIKey is VTIMBQQVZZYZBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-8-10-23(11-9-13)14(2)12-21-19(25)22-17-7-5-6-16(15(17)3)18(24)20-4/h5-7,13-14H,8-12H2,1-4H3,(H,20,24)(H2,21,22,25)/t14-/m1/s1.
What are the key properties of N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide?
N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide has a molecular weight of 346.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide is sourced from PubChem (CID 95154688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).