N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide

C19H29N3O3 — CID 134161071

IUPACN-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(N3CCC(OC)C3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-24-17-5-3-15(4-6-17)13-20-19(23)21-10-7-16(8-11-21)22-12-9-18(14-22)25-2/h3-6,16,18H,7-14H2,1-2H3,(H,20,23)
InChIKeyAOOSQQGGINHOGX-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide (PubChem CID 134161071) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
PubChem CID134161071
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(N3CCC(OC)C3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-24-17-5-3-15(4-6-17)13-20-19(23)21-10-7-16(8-11-21)22-12-9-18(14-22)25-2/h3-6,16,18H,7-14H2,1-2H3,(H,20,23)
InChIKeyAOOSQQGGINHOGX-UHFFFAOYSA-N
XLogP2.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
CID 71809168
4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 162628442
3-[4-(methoxymethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 134161321
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide (CID 134161071) is N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(N3CCC(OC)C3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide?
The InChIKey is AOOSQQGGINHOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-17-5-3-15(4-6-17)13-20-19(23)21-10-7-16(8-11-21)22-12-9-18(14-22)25-2/h3-6,16,18H,7-14H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 134161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).