1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide

C16H32N4O — CID 79644653

IUPAC1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C16H32N4O/c1-4-18-16(15(17)21)8-5-14(11-16)20(3)12-13-6-9-19(2)10-7-13/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeyZOIJJHOFQWXIMR-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.65
Rot. Bonds6

About 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide

1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide (PubChem CID 79644653) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide
PubChem CID79644653
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C16H32N4O/c1-4-18-16(15(17)21)8-5-14(11-16)20(3)12-13-6-9-19(2)10-7-13/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeyZOIJJHOFQWXIMR-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
3-[bis(cyclopropylmethyl)amino]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650869
[1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentyl]methanol
CID 79656509
1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
CID 79633998
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
CID 79647008
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
CID 79641468
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxamide
CID 79651384

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide (CID 79644653) is 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(N(C)CC2CCN(C)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide?
The InChIKey is ZOIJJHOFQWXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-18-16(15(17)21)8-5-14(11-16)20(3)12-13-6-9-19(2)10-7-13/h13-14,18H,4-12H2,1-3H3,(H2,17,21).
What are the key properties of 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide?
1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 79644653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).