(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide

C13H26N4O — CID 144649719

IUPAC(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
SMILESCN1CCC(NC(=O)CCCC/C(N)=C/N)CC1
InChIInChI=1S/C13H26N4O/c1-17-8-6-12(7-9-17)16-13(18)5-3-2-4-11(15)10-14/h10,12H,2-9,14-15H2,1H3,(H,16,18)/b11-10-
InChIKeyWCPLFUYEEMGULL-KHPPLWFESA-N
MW254.38 g/mol
LogP0.52
Rot. Bonds6

About (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide

(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide (PubChem CID 144649719) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide.

Molecular Properties

Compound Name(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
PubChem CID144649719
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
SMILESCN1CCC(NC(=O)CCCC/C(N)=C/N)CC1
InChIInChI=1S/C13H26N4O/c1-17-8-6-12(7-9-17)16-13(18)5-3-2-4-11(15)10-14/h10,12H,2-9,14-15H2,1H3,(H,16,18)/b11-10-
InChIKeyWCPLFUYEEMGULL-KHPPLWFESA-N
XLogP0.52
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-methyl-6-(prop-1-en-2-ylamino)hexanamide
CID 54398803
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297
1-Methyl-4-(methylamino)-7-methylideneazepan-2-one
CID 89207513
1-[2-[1-(5-Aminopentylamino)ethenyl]piperidin-1-yl]hexan-1-one
CID 89301562
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 90224675
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
CID 90227129
5-amino-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 137427821
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558345
(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
CID 144649695
(Z)-5,6-diamino-N-[(1-methylpiperidin-4-yl)methyl]hex-5-enamide
CID 144649697
(Z)-5,6-diamino-N-(2,6-diethyl-1-methylpiperidin-4-yl)hex-5-enamide
CID 144649713

Frequently Asked Questions

What is the IUPAC name of (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The IUPAC name of (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide (CID 144649719) is (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide.
What is the SMILES notation for (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The canonical SMILES for (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide is CN1CCC(NC(=O)CCCC/C(N)=C/N)CC1.
What is the InChIKey of (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide?
The InChIKey is WCPLFUYEEMGULL-KHPPLWFESA-N. The full InChI is InChI=1S/C13H26N4O/c1-17-8-6-12(7-9-17)16-13(18)5-3-2-4-11(15)10-14/h10,12H,2-9,14-15H2,1H3,(H,16,18)/b11-10-.
What are the key properties of (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide?
(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide has a molecular weight of 254.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide is sourced from PubChem (CID 144649719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).