4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide

C24H33ClN4O2 — CID 69082258

IUPAC4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCN(C(=O)Nc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN4O2/c25-20-3-1-2-4-21(20)27-23(31)29-7-5-16(6-8-29)15-26-22(30)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,16-19H,5-15H2,(H,27,31)(H2,26,28,30)
InChIKeyVNIOWVSNMYNVBS-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.85
Rot. Bonds4

About 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide

4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide (PubChem CID 69082258) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide
PubChem CID69082258
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCN(C(=O)Nc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN4O2/c25-20-3-1-2-4-21(20)27-23(31)29-7-5-16(6-8-29)15-26-22(30)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,16-19H,5-15H2,(H,27,31)(H2,26,28,30)
InChIKeyVNIOWVSNMYNVBS-UHFFFAOYSA-N
XLogP4.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
2-[(1-adamantylcarbamoylamino)methyl]-N-(2,4-dichlorophenyl)pyrrolidine-1-carboxamide
CID 69083410
1-(1-adamantyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]urea
CID 42633447
4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 143812234
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
1-(1-adamantyl)-3-(piperidin-1-ium-4-ylmethyl)urea
CID 28786562
1-(1-adamantyl)-3-[3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxopropyl]urea
CID 35930615
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039

Frequently Asked Questions

What is the IUPAC name of 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide (CID 69082258) is 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide is O=C(NCC1CCN(C(=O)Nc2ccccc2Cl)CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is VNIOWVSNMYNVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c25-20-3-1-2-4-21(20)27-23(31)29-7-5-16(6-8-29)15-26-22(30)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,16-19H,5-15H2,(H,27,31)(H2,26,28,30).
What are the key properties of 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 445.01 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 69082258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).