N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid

C26H33N5O3 — CID 69471522

IUPACN-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid
SMILESCCNCC.O=C(O)c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C22H22N4O3.C4H11N/c27-22(28)15-5-6-18-20(13-15)29-19-4-2-1-3-17(19)26(18)16-7-11-25(12-8-16)14-21-23-9-10-24-21;1-3-5-4-2/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24)(H,27,28);5H,3-4H2,1-2H3
InChIKeyPJRBPOZUBVZGOA-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.63
Rot. Bonds6

About N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid

N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid (PubChem CID 69471522) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid.

Molecular Properties

Compound NameN-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid
PubChem CID69471522
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid
SMILESCCNCC.O=C(O)c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C22H22N4O3.C4H11N/c27-22(28)15-5-6-18-20(13-15)29-19-4-2-1-3-17(19)26(18)16-7-11-25(12-8-16)14-21-23-9-10-24-21;1-3-5-4-2/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24)(H,27,28);5H,3-4H2,1-2H3
InChIKeyPJRBPOZUBVZGOA-UHFFFAOYSA-N
XLogP4.63
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethylamino 10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylate
CID 87847686
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664
N-[(4S,5S)-5-hydroxy-1-(1H-imidazol-2-ylmethyl)azepan-4-yl]acetamide
CID 110126858
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
CID 95209222
3-[10-[1-(furan-3-ylmethyl)piperidin-4-yl]phenoxazin-3-yl]-2,5-dihydro-1,2,4-oxadiazin-6-one
CID 143259670
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
CID 131929012
N,N-diethyl-10-[(1R,5S)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazine-3-carboximidamide
CID 59814714
1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
CID 56857606
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid?
The IUPAC name of N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid (CID 69471522) is N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid.
What is the SMILES notation for N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid?
The canonical SMILES for N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid is CCNCC.O=C(O)c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid?
The InChIKey is PJRBPOZUBVZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C4H11N/c27-22(28)15-5-6-18-20(13-15)29-19-4-2-1-3-17(19)26(18)16-7-11-25(12-8-16)14-21-23-9-10-24-21;1-3-5-4-2/h1-6,9-10,13,16H,7-8,11-12,14H2,(H,23,24)(H,27,28);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid?
N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid has a molecular weight of 463.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;10-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]phenoxazine-3-carboxylic acid is sourced from PubChem (CID 69471522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).