(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide

C13H24N2O — CID 106627593

IUPAC(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)N(C)CC1CCCNC1
InChIInChI=1S/C13H24N2O/c1-4-6-11(2)13(16)15(3)10-12-7-5-8-14-9-12/h6,12,14H,4-5,7-10H2,1-3H3/b11-6-
InChIKeyTVPSNSUTSKYSEQ-WDZFZDKYSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds4

About (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide

(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide (PubChem CID 106627593) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
PubChem CID106627593
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)N(C)CC1CCCNC1
InChIInChI=1S/C13H24N2O/c1-4-6-11(2)13(16)15(3)10-12-7-5-8-14-9-12/h6,12,14H,4-5,7-10H2,1-3H3/b11-6-
InChIKeyTVPSNSUTSKYSEQ-WDZFZDKYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
CID 114038062
(Z)-2-methyl-N-[2-[(3R)-piperidin-3-yl]ethyl]pent-2-enamide
CID 96646542
2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739
2-acetamido-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628048
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628049
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide?
The IUPAC name of (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide (CID 106627593) is (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide.
What is the SMILES notation for (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide?
The canonical SMILES for (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide is CC/C=C(/C)C(=O)N(C)CC1CCCNC1.
What is the InChIKey of (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide?
The InChIKey is TVPSNSUTSKYSEQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-11(2)13(16)15(3)10-12-7-5-8-14-9-12/h6,12,14H,4-5,7-10H2,1-3H3/b11-6-.
What are the key properties of (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide?
(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide is sourced from PubChem (CID 106627593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).