3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide

C26H35N3O3 — CID 17480900

IUPAC3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)NCc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2
InChIInChI=1S/C26H35N3O3/c1-18(30)28-26-14-20-11-21(15-26)13-25(12-20,17-26)24(32)27-16-19-5-7-22(8-6-19)23(31)29-9-3-2-4-10-29/h5-8,20-21H,2-4,9-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyVRQAFPZDNMCTLZ-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.40
Rot. Bonds5

About 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide

3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 17480900) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID17480900
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)NCc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2
InChIInChI=1S/C26H35N3O3/c1-18(30)28-26-14-20-11-21(15-26)13-25(12-20,17-26)24(32)27-16-19-5-7-22(8-6-19)23(31)29-9-3-2-4-10-29/h5-8,20-21H,2-4,9-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyVRQAFPZDNMCTLZ-UHFFFAOYSA-N
XLogP3.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 98422119
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
(5R,7R)-3-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]adamantane-1-carboxamide
CID 98408155
3-acetamido-N-[2-[(4-chlorobenzoyl)amino]ethyl]adamantane-1-carboxamide
CID 42944694
(5S,7R)-3-acetamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 25495003
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 17485108
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide (CID 17480900) is 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide is CC(=O)NC12CC3CC(C1)CC(C(=O)NCc1ccc(C(=O)N4CCCCC4)cc1)(C3)C2.
What is the InChIKey of 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is VRQAFPZDNMCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18(30)28-26-14-20-11-21(15-26)13-25(12-20,17-26)24(32)27-16-19-5-7-22(8-6-19)23(31)29-9-3-2-4-10-29/h5-8,20-21H,2-4,9-17H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide?
3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 17480900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).