2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

C22H27N3O5 — CID 21352745

IUPAC2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OCCOC2CCNCC2)cc1
InChIInChI=1S/C22H27N3O5/c1-28-17-8-6-16(7-9-17)21(26)24-19-4-2-3-5-20(19)25-22(27)30-15-14-29-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyIMBCJGVUEPJMQQ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.26
Rot. Bonds8

About 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (PubChem CID 21352745) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
PubChem CID21352745
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OCCOC2CCNCC2)cc1
InChIInChI=1S/C22H27N3O5/c1-28-17-8-6-16(7-9-17)21(26)24-19-4-2-3-5-20(19)25-22(27)30-15-14-29-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyIMBCJGVUEPJMQQ-UHFFFAOYSA-N
XLogP3.26
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352738
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352739
1-(4-methoxyphenyl)-3-(2-piperidin-4-yloxyethyl)urea
CID 63871420
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride
CID 119617488
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The IUPAC name of 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (CID 21352745) is 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The canonical SMILES for 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is COc1ccc(C(=O)Nc2ccccc2NC(=O)OCCOC2CCNCC2)cc1.
What is the InChIKey of 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The InChIKey is IMBCJGVUEPJMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-28-17-8-6-16(7-9-17)21(26)24-19-4-2-3-5-20(19)25-22(27)30-15-14-29-18-10-12-23-13-11-18/h2-9,18,23H,10-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate has a molecular weight of 413.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxyethyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).