N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide

C19H35N3O — CID 45184033

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O/c1-21-13-10-18(11-14-21)22-12-6-9-17(15-22)20-19(23)16-7-4-2-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyPNEUDHFGVFLXAU-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide (PubChem CID 45184033) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
PubChem CID45184033
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O/c1-21-13-10-18(11-14-21)22-12-6-9-17(15-22)20-19(23)16-7-4-2-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyPNEUDHFGVFLXAU-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 156726408
N-cycloheptylcycloheptanecarboxamide
CID 129091005

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide (CID 45184033) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide is CN1CCC(N2CCCC(NC(=O)C3CCCCCC3)C2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide?
The InChIKey is PNEUDHFGVFLXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-21-13-10-18(11-14-21)22-12-6-9-17(15-22)20-19(23)16-7-4-2-3-5-8-16/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide has a molecular weight of 321.51 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide is sourced from PubChem (CID 45184033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).