N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide

C18H34N4O2 — CID 118052259

IUPACN,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide
SMILESCC1CCN(CC(=O)N(CCC(=O)N(C)C)C2CCNCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-15-6-11-21(12-7-15)14-18(24)22(13-8-17(23)20(2)3)16-4-9-19-10-5-16/h15-16,19H,4-14H2,1-3H3
InChIKeyLWRFRXJWUFXJQS-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.78
Rot. Bonds6

About N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide

N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide (PubChem CID 118052259) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide
PubChem CID118052259
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide
SMILESCC1CCN(CC(=O)N(CCC(=O)N(C)C)C2CCNCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-15-6-11-21(12-7-15)14-18(24)22(13-8-17(23)20(2)3)16-4-9-19-10-5-16/h15-16,19H,4-14H2,1-3H3
InChIKeyLWRFRXJWUFXJQS-UHFFFAOYSA-N
XLogP0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
CID 118052241
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide
CID 134484779
N,N-dimethyl-2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetamide
CID 61028980
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54944312

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide (CID 118052259) is N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide is CC1CCN(CC(=O)N(CCC(=O)N(C)C)C2CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide?
The InChIKey is LWRFRXJWUFXJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-15-6-11-21(12-7-15)14-18(24)22(13-8-17(23)20(2)3)16-4-9-19-10-5-16/h15-16,19H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide?
N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide has a molecular weight of 338.50 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide is sourced from PubChem (CID 118052259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).