methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate

C18H28N4O3 — CID 95154757

IUPACmethyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N4O3/c1-13-8-10-22(11-9-13)14(2)12-19-17(23)20-15-4-6-16(7-5-15)21-18(24)25-3/h4-7,13-14H,8-12H2,1-3H3,(H,21,24)(H2,19,20,23)/t14-/m1/s1
InChIKeyHXNODKKWTMUAGT-CQSZACIVSA-N
MW348.45 g/mol
LogP3.11
Rot. Bonds5

About methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate

methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate (PubChem CID 95154757) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
PubChem CID95154757
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Namemethyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N4O3/c1-13-8-10-22(11-9-13)14(2)12-19-17(23)20-15-4-6-16(7-5-15)21-18(24)25-3/h4-7,13-14H,8-12H2,1-3H3,(H,21,24)(H2,19,20,23)/t14-/m1/s1
InChIKeyHXNODKKWTMUAGT-CQSZACIVSA-N
XLogP3.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
methyl N-[3-[2-(4-methylpiperazin-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 136571786
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
CID 95154688
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate (CID 95154757) is methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1.
What is the InChIKey of methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate?
The InChIKey is HXNODKKWTMUAGT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-8-10-22(11-9-13)14(2)12-19-17(23)20-15-4-6-16(7-5-15)21-18(24)25-3/h4-7,13-14H,8-12H2,1-3H3,(H,21,24)(H2,19,20,23)/t14-/m1/s1.
What are the key properties of methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate?
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate has a molecular weight of 348.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 95154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).