N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

C22H34N4O2 — CID 55626345

IUPACN-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C22H34N4O2/c27-21(23-15-18-9-3-1-4-10-18)17-26-14-8-7-13-20(26)16-24-22(28)25-19-11-5-2-6-12-19/h2,5-6,11-12,18,20H,1,3-4,7-10,13-17H2,(H,23,27)(H2,24,25,28)
InChIKeyIEVLWKLMQIKHOY-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.36
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 55626345) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
PubChem CID55626345
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C22H34N4O2/c27-21(23-15-18-9-3-1-4-10-18)17-26-14-8-7-13-20(26)16-24-22(28)25-19-11-5-2-6-12-19/h2,5-6,11-12,18,20H,1,3-4,7-10,13-17H2,(H,23,27)(H2,24,25,28)
InChIKeyIEVLWKLMQIKHOY-UHFFFAOYSA-N
XLogP3.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626041
N-(3-methylsulfonylphenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 42956011
1-[[1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]piperidin-2-yl]methyl]-3-phenylurea
CID 78860486
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55601037
N-methyl-N-[(2-methylphenyl)methyl]-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 78860482
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
1-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-yl]methyl]-3-phenylurea
CID 55601118
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (CID 55626345) is N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is O=C(CN1CCCCC1CNC(=O)Nc1ccccc1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is IEVLWKLMQIKHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-21(23-15-18-9-3-1-4-10-18)17-26-14-8-7-13-20(26)16-24-22(28)25-19-11-5-2-6-12-19/h2,5-6,11-12,18,20H,1,3-4,7-10,13-17H2,(H,23,27)(H2,24,25,28).
What are the key properties of N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 55626345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).