(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide

C12H24N4O — CID 144649695

IUPAC(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
SMILESCN1CCC(NC(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C12H24N4O/c1-16-7-5-11(6-8-16)15-12(17)4-2-3-10(14)9-13/h9,11H,2-8,13-14H2,1H3,(H,15,17)/b10-9-
InChIKeyBUEDHVHFZWORKU-KTKRTIGZSA-N
MW240.35 g/mol
LogP0.13
Rot. Bonds5

About (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide

(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide (PubChem CID 144649695) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide.

Molecular Properties

Compound Name(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
PubChem CID144649695
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
SMILESCN1CCC(NC(=O)CCC/C(N)=C/N)CC1
InChIInChI=1S/C12H24N4O/c1-16-7-5-11(6-8-16)15-12(17)4-2-3-10(14)9-13/h9,11H,2-8,13-14H2,1H3,(H,15,17)/b10-9-
InChIKeyBUEDHVHFZWORKU-KTKRTIGZSA-N
XLogP0.13
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 90224674
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 90224675
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 90227128
5-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)pentanamide
CID 90227129
N-(1-but-2-en-2-ylpiperidin-4-yl)butanamide
CID 91212854
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
1-[4-(Prop-1-en-2-ylamino)piperidin-1-yl]ethanone
CID 143814094
(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
(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
CID 144649719

Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide?
The IUPAC name of (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide (CID 144649695) is (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide.
What is the SMILES notation for (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide?
The canonical SMILES for (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide is CN1CCC(NC(=O)CCC/C(N)=C/N)CC1.
What is the InChIKey of (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide?
The InChIKey is BUEDHVHFZWORKU-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H24N4O/c1-16-7-5-11(6-8-16)15-12(17)4-2-3-10(14)9-13/h9,11H,2-8,13-14H2,1H3,(H,15,17)/b10-9-.
What are the key properties of (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide?
(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide has a molecular weight of 240.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide is sourced from PubChem (CID 144649695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).