(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine

C21H35N5O — CID 139324738

IUPAC(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C21H35N5O/c1-15-11-17(18(22)13-23-2)21(24-12-15)26-10-9-19(20(14-26)27-3)25-16-7-5-4-6-8-16/h11-13,16,19-20,23,25H,4-10,14,22H2,1-3H3/b18-13-
InChIKeyQXSUJVSUWKCQBH-AQTBWJFISA-N
MW373.55 g/mol
LogP2.38
Rot. Bonds6

About (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine

(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine (PubChem CID 139324738) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine
PubChem CID139324738
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C21H35N5O/c1-15-11-17(18(22)13-23-2)21(24-12-15)26-10-9-19(20(14-26)27-3)25-16-7-5-4-6-8-16/h11-13,16,19-20,23,25H,4-10,14,22H2,1-3H3/b18-13-
InChIKeyQXSUJVSUWKCQBH-AQTBWJFISA-N
XLogP2.38
TPSA75.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[amino(cyclopropyl)methylidene]-2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 118263971
N-(1-aminoethyl)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123966369
N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123692323
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
CID 149051942
1-[3-[[(Z)-3-amino-2-methylprop-2-enylidene]amino]-5-methyl-2-pyridinyl]-N-cyclohexyl-3-methoxypiperidin-4-amine
CID 118263928
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-N-propanimidoylpyridine-3-carboxamide
CID 140681742
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
CID 118263848
1-aminoethyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinoline-3-carboximidate
CID 123318961
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
CID 123491507

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine?
The IUPAC name of (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine (CID 139324738) is (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine?
The canonical SMILES for (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine is CN/C=C(\N)c1cc(C)cnc1N1CCC(NC2CCCCC2)C(OC)C1.
What is the InChIKey of (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine?
The InChIKey is QXSUJVSUWKCQBH-AQTBWJFISA-N. The full InChI is InChI=1S/C21H35N5O/c1-15-11-17(18(22)13-23-2)21(24-12-15)26-10-9-19(20(14-26)27-3)25-16-7-5-4-6-8-16/h11-13,16,19-20,23,25H,4-10,14,22H2,1-3H3/b18-13-.
What are the key properties of (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine?
(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine has a molecular weight of 373.55 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine is sourced from PubChem (CID 139324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).