N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

C21H30N4O3 — CID 90520980

IUPACN'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H30N4O3/c26-19(20(27)24-18-7-3-1-2-4-8-18)23-14-16-9-12-25(13-10-16)21(28)17-6-5-11-22-15-17/h5-6,11,15-16,18H,1-4,7-10,12-14H2,(H,23,26)(H,24,27)
InChIKeyIOSGNDZURJNDFI-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.89
Rot. Bonds4

About N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 90520980) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID90520980
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H30N4O3/c26-19(20(27)24-18-7-3-1-2-4-8-18)23-14-16-9-12-25(13-10-16)21(28)17-6-5-11-22-15-17/h5-6,11,15-16,18H,1-4,7-10,12-14H2,(H,23,26)(H,24,27)
InChIKeyIOSGNDZURJNDFI-UHFFFAOYSA-N
XLogP1.89
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520998
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (CID 90520980) is N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is IOSGNDZURJNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-19(20(27)24-18-7-3-1-2-4-8-18)23-14-16-9-12-25(13-10-16)21(28)17-6-5-11-22-15-17/h5-6,11,15-16,18H,1-4,7-10,12-14H2,(H,23,26)(H,24,27).
What are the key properties of N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 386.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 90520980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).