methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate

C19H30N4O3 — CID 87007007

IUPACmethyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCCCCN2CCCC(C)C2)cc1
InChIInChI=1S/C19H30N4O3/c1-15-6-5-13-23(14-15)12-4-3-11-20-18(24)21-16-7-9-17(10-8-16)22-19(25)26-2/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeyUKOLUKIJSNFBHR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.50
Rot. Bonds7

About methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate

methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate (PubChem CID 87007007) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate
PubChem CID87007007
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Namemethyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCCCCN2CCCC(C)C2)cc1
InChIInChI=1S/C19H30N4O3/c1-15-6-5-13-23(14-15)12-4-3-11-20-18(24)21-16-7-9-17(10-8-16)22-19(25)26-2/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeyUKOLUKIJSNFBHR-UHFFFAOYSA-N
XLogP3.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 47042538
1-[4-(3-methylpiperidin-1-yl)butyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518673
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
N,N-dimethyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propylcarbamothioylamino]benzamide
CID 100739628
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 110911703
4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide
CID 94611653
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-[4-(cyanomethyl)phenyl]-3-[3-[(3R)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739088
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate (CID 87007007) is methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)NCCCCN2CCCC(C)C2)cc1.
What is the InChIKey of methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate?
The InChIKey is UKOLUKIJSNFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15-6-5-13-23(14-15)12-4-3-11-20-18(24)21-16-7-9-17(10-8-16)22-19(25)26-2/h7-10,15H,3-6,11-14H2,1-2H3,(H,22,25)(H2,20,21,24).
What are the key properties of methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate?
methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(3-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 87007007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).