N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C24H31N3O3S — CID 55757691

IUPACN-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H31N3O3S/c1-30-22-9-3-2-7-20(22)17-27(18-21-8-6-16-31-21)23(28)19-10-14-26(15-11-19)24(29)25-12-4-5-13-25/h2-3,6-9,16,19H,4-5,10-15,17-18H2,1H3
InChIKeyHBBPSCDLBFTLSX-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.21
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55757691) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55757691
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C24H31N3O3S/c1-30-22-9-3-2-7-20(22)17-27(18-21-8-6-16-31-21)23(28)19-10-14-26(15-11-19)24(29)25-12-4-5-13-25/h2-3,6-9,16,19H,4-5,10-15,17-18H2,1H3
InChIKeyHBBPSCDLBFTLSX-UHFFFAOYSA-N
XLogP4.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 120617754
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51262138
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 60546547
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
2-[[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 72881075
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55757691) is N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HBBPSCDLBFTLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-30-22-9-3-2-7-20(22)17-27(18-21-8-6-16-31-21)23(28)19-10-14-26(15-11-19)24(29)25-12-4-5-13-25/h2-3,6-9,16,19H,4-5,10-15,17-18H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55757691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).