N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide

C15H27N3O — CID 63104541

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC(C)C2CC3CCC2C3)CN1
InChIInChI=1S/C15H27N3O/c1-9-7-17-14(8-16-9)15(19)18-10(2)13-6-11-3-4-12(13)5-11/h9-14,16-17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRTRVSGJHJDPDHD-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.88
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide (PubChem CID 63104541) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
PubChem CID63104541
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC(C)C2CC3CCC2C3)CN1
InChIInChI=1S/C15H27N3O/c1-9-7-17-14(8-16-9)15(19)18-10(2)13-6-11-3-4-12(13)5-11/h9-14,16-17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRTRVSGJHJDPDHD-UHFFFAOYSA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 114084659
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549827
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977834
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
(1S,2S,3R,4S)-3-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124712417
(1R,6R)-6-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 124717093
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98271573
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-N'-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2,3,3-tetrafluorobutanediamide
CID 98337286

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide (CID 63104541) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)NC(C)C2CC3CCC2C3)CN1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide?
The InChIKey is RTRVSGJHJDPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-9-7-17-14(8-16-9)15(19)18-10(2)13-6-11-3-4-12(13)5-11/h9-14,16-17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63104541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).