3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

C20H29N3O2 — CID 90521330

IUPAC3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(8-7-16-4-1-2-5-16)22-14-17-9-12-23(13-10-17)20(25)18-6-3-11-21-15-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,22,24)
InChIKeyRCALFTSHVOLTQJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.02
Rot. Bonds6

About 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide

3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 90521330) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID90521330
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(8-7-16-4-1-2-5-16)22-14-17-9-12-23(13-10-17)20(25)18-6-3-11-21-15-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,22,24)
InChIKeyRCALFTSHVOLTQJ-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide (CID 90521330) is 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is O=C(CCC1CCCC1)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is RCALFTSHVOLTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(8-7-16-4-1-2-5-16)22-14-17-9-12-23(13-10-17)20(25)18-6-3-11-21-15-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,22,24).
What are the key properties of 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide?
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 343.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 90521330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).