methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate

C19H23N3O2 — CID 112988794

IUPACmethyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-2-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23)
InChIKeyFPGXJWYGHMRYEL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.60
Rot. Bonds4

About methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate

methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate (PubChem CID 112988794) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
PubChem CID112988794
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namemethyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-2-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23)
InChIKeyFPGXJWYGHMRYEL-UHFFFAOYSA-N
XLogP4.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
2-hydroxyethyl N-(4-piperidin-1-ylphenyl)carbamate
CID 79349659
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 17100035
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate (CID 112988794) is methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate is COC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate?
The InChIKey is FPGXJWYGHMRYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-19(23)21-17-7-5-15(6-8-17)20-16-9-11-18(12-10-16)22-13-3-2-4-14-22/h5-12,20H,2-4,13-14H2,1H3,(H,21,23).
What are the key properties of methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate?
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate is sourced from PubChem (CID 112988794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).