N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide

C20H36N4O2 — CID 23827661

IUPACN-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESCC1(C)C(CNC(=O)N2CCCCC2)CC1CNC(=O)N1CCCCC1
InChIInChI=1S/C20H36N4O2/c1-20(2)16(14-21-18(25)23-9-5-3-6-10-23)13-17(20)15-22-19(26)24-11-7-4-8-12-24/h16-17H,3-15H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCLWQZFANUTXBSZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.04
Rot. Bonds4

About N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide

N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide (PubChem CID 23827661) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide
PubChem CID23827661
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide
SMILESCC1(C)C(CNC(=O)N2CCCCC2)CC1CNC(=O)N1CCCCC1
InChIInChI=1S/C20H36N4O2/c1-20(2)16(14-21-18(25)23-9-5-3-6-10-23)13-17(20)15-22-19(26)24-11-7-4-8-12-24/h16-17H,3-15H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCLWQZFANUTXBSZ-UHFFFAOYSA-N
XLogP3.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[(Diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea
CID 4279105
4-methyl-N-(6-{[(4-methyl-1-piperidinyl)carbonyl]amino}hexyl)-1-piperidinecarboxamide
CID 307325
1-{[3-({[Bis(butan-2-YL)carbamoyl]amino}methyl)-2,2-dimethylcyclobutyl]methyl}-3,3-bis(butan-2-YL)urea
CID 24024689
3-[[3-[(Dimethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-dimethylurea
CID 24072575
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(3-methylbutyl)piperidine-1-carboxamide
CID 50809632
(4-Tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone
CID 55032531
4-[2,6-dimethyl-1-(methylcarbamoyl)piperidin-4-yl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 59547467
3-tert-butyl-N-ethylpiperidine-1-carboxamide
CID 59751413
N-methyl-4-piperidin-4-ylpiperidine-1-carboxamide
CID 69044231
N-ethyl-4-piperidin-4-ylpiperidine-1-carboxamide
CID 69045063
1-[2-(2-Ethyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-3-(2-methylpropyl)urea
CID 90290791
1-(2-Methylpropyl)-3-[2-oxo-2-(2-propyl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]urea
CID 90290798

Frequently Asked Questions

What is the IUPAC name of N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide (CID 23827661) is N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide is CC1(C)C(CNC(=O)N2CCCCC2)CC1CNC(=O)N1CCCCC1.
What is the InChIKey of N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide?
The InChIKey is CLWQZFANUTXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-20(2)16(14-21-18(25)23-9-5-3-6-10-23)13-17(20)15-22-19(26)24-11-7-4-8-12-24/h16-17H,3-15H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide?
N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2-dimethyl-3-[(piperidine-1-carbonylamino)methyl]cyclobutyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 23827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).