N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide

C23H39N3O3 — CID 3221023

IUPACN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
SMILESCCOCCCNC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H39N3O3/c1-2-29-9-3-6-24-21(27)16-26-7-4-20(5-8-26)25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h17-20H,2-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyKEVWOMGQIXVUHG-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.33
Rot. Bonds9

About N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide

N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide (PubChem CID 3221023) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
PubChem CID3221023
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC NameN-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide
SMILESCCOCCCNC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H39N3O3/c1-2-29-9-3-6-24-21(27)16-26-7-4-20(5-8-26)25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h17-20H,2-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyKEVWOMGQIXVUHG-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-[4-(adamantane-1-carbonylamino)piperidin-1-yl]acetyl]amino]benzoate
CID 3220815
N-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55407932
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
ethyl 4-[[2-(adamantane-1-carbonylamino)acetyl]amino]piperidine-1-carboxylate
CID 18120695
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
2-[7-(carboxymethyl)-4-(2-oxoethyl)-10-[2-oxo-2-[[1-[2-oxo-2-(pentylamino)ethyl]piperidin-4-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639963
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide
CID 3218536

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide (CID 3221023) is N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide is CCOCCCNC(=O)CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is KEVWOMGQIXVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-2-29-9-3-6-24-21(27)16-26-7-4-20(5-8-26)25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h17-20H,2-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide?
N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 405.58 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 3221023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).