N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide

C21H34N4O2 — CID 143776250

IUPACN-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide
SMILESC=C(CN(C)C)N1CCC(N(C)CCc2cc(OC)ccc2NC=O)CC1
InChIInChI=1S/C21H34N4O2/c1-17(15-23(2)3)25-12-9-19(10-13-25)24(4)11-8-18-14-20(27-5)6-7-21(18)22-16-26/h6-7,14,16,19H,1,8-13,15H2,2-5H3,(H,22,26)
InChIKeyFZDPMYUXWXGEFI-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.28
Rot. Bonds10

About N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide

N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide (PubChem CID 143776250) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide
PubChem CID143776250
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide
SMILESC=C(CN(C)C)N1CCC(N(C)CCc2cc(OC)ccc2NC=O)CC1
InChIInChI=1S/C21H34N4O2/c1-17(15-23(2)3)25-12-9-19(10-13-25)24(4)11-8-18-14-20(27-5)6-7-21(18)22-16-26/h6-7,14,16,19H,1,8-13,15H2,2-5H3,(H,22,26)
InChIKeyFZDPMYUXWXGEFI-UHFFFAOYSA-N
XLogP2.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide
CID 143791246
N-[4-methoxy-2-[2-[methyl-[1-[6-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carbonyl]pyrimidin-4-yl]piperidin-4-yl]amino]ethyl]phenyl]formamide
CID 143808132
N-[4-methoxy-2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl]formamide
CID 20560023
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
CID 20560031
1-[3-(dimethylamino)prop-1-en-2-yl]-N-methylpiperidin-4-amine
CID 171531327
1-[4-[3-methoxy-N-(2-methylprop-2-enyl)anilino]piperidin-1-yl]ethanone
CID 22038362
2-(2-aminoethyl)-N-[2-[4-[formyl-[2-[5-methoxy-2-(methylamino)phenyl]ethyl]amino]piperidin-1-yl]-2-oxoethyl]-7-methyl-3H-benzimidazole-5-carboxamide
CID 143776254
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043403
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
CID 166467583
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 168931025

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide?
The IUPAC name of N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide (CID 143776250) is N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide.
What is the SMILES notation for N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide?
The canonical SMILES for N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide is C=C(CN(C)C)N1CCC(N(C)CCc2cc(OC)ccc2NC=O)CC1.
What is the InChIKey of N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide?
The InChIKey is FZDPMYUXWXGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(15-23(2)3)25-12-9-19(10-13-25)24(4)11-8-18-14-20(27-5)6-7-21(18)22-16-26/h6-7,14,16,19H,1,8-13,15H2,2-5H3,(H,22,26).
What are the key properties of N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide?
N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide has a molecular weight of 374.53 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-methylamino]ethyl]-4-methoxyphenyl]formamide is sourced from PubChem (CID 143776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).