N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide

C17H28N4O2S — CID 49133501

IUPACN,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(=O)N(C)C
InChIInChI=1S/C17H28N4O2S/c1-13(16(22)20(2)3)19-17(23)18-11-14-6-8-21(9-7-14)12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H2,18,19,23)
InChIKeyGDPGKDARTPNMSN-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.74
Rot. Bonds6

About N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide

N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide (PubChem CID 49133501) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
PubChem CID49133501
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC NameN,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(=O)N(C)C
InChIInChI=1S/C17H28N4O2S/c1-13(16(22)20(2)3)19-17(23)18-11-14-6-8-21(9-7-14)12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H2,18,19,23)
InChIKeyGDPGKDARTPNMSN-UHFFFAOYSA-N
XLogP1.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
CID 48964508
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964603
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964547
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 86876605
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide (CID 49133501) is N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide is CC(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide?
The InChIKey is GDPGKDARTPNMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(16(22)20(2)3)19-17(23)18-11-14-6-8-21(9-7-14)12-15-5-4-10-24-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H2,18,19,23).
What are the key properties of N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide?
N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide has a molecular weight of 352.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 49133501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).