N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide

C23H29N3O3 — CID 45218064

IUPACN-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)Cc3cccnc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-8-2-5-19(13-21)16-25-22(27)10-9-18-7-4-12-26(17-18)23(28)14-20-6-3-11-24-15-20/h2-3,5-6,8,11,13,15,18H,4,7,9-10,12,14,16-17H2,1H3,(H,25,27)
InChIKeySERAEDBAZDEHII-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.97
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide (PubChem CID 45218064) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
PubChem CID45218064
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CCC2CCCN(C(=O)Cc3cccnc3)C2)c1
InChIInChI=1S/C23H29N3O3/c1-29-21-8-2-5-19(13-21)16-25-22(27)10-9-18-7-4-12-26(17-18)23(28)14-20-6-3-11-24-15-20/h2-3,5-6,8,11,13,15,18H,4,7,9-10,12,14,16-17H2,1H3,(H,25,27)
InChIKeySERAEDBAZDEHII-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 62371471

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide (CID 45218064) is N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CCC2CCCN(C(=O)Cc3cccnc3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The InChIKey is SERAEDBAZDEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-8-2-5-19(13-21)16-25-22(27)10-9-18-7-4-12-26(17-18)23(28)14-20-6-3-11-24-15-20/h2-3,5-6,8,11,13,15,18H,4,7,9-10,12,14,16-17H2,1H3,(H,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45218064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).