N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide

C23H29N3O2 — CID 110226611

IUPACN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CN1CCC(C(NC(=O)C2CC2)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-21-8-3-2-6-19(21)16-26-14-11-17(12-15-26)22(20-7-4-5-13-24-20)25-23(27)18-9-10-18/h2-8,13,17-18,22H,9-12,14-16H2,1H3,(H,25,27)
InChIKeyTXCFIMYIWUMDIH-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.57
Rot. Bonds7

About N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide

N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide (PubChem CID 110226611) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
PubChem CID110226611
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CN1CCC(C(NC(=O)C2CC2)c2ccccn2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-21-8-3-2-6-19(21)16-26-14-11-17(12-15-26)22(20-7-4-5-13-24-20)25-23(27)18-9-10-18/h2-8,13,17-18,22H,9-12,14-16H2,1H3,(H,25,27)
InChIKeyTXCFIMYIWUMDIH-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(S)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 92601741
N-[[1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226609
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
N-[(R)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 95795365
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110229233

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide (CID 110226611) is N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide is COc1ccccc1CN1CCC(C(NC(=O)C2CC2)c2ccccn2)CC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The InChIKey is TXCFIMYIWUMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-21-8-3-2-6-19(21)16-26-14-11-17(12-15-26)22(20-7-4-5-13-24-20)25-23(27)18-9-10-18/h2-8,13,17-18,22H,9-12,14-16H2,1H3,(H,25,27).
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110226611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).