(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

C16H26N2O — CID 98790786

IUPAC(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H26N2O/c19-16(15-8-12-3-4-13(15)7-12)17-14-5-6-18(10-14)9-11-1-2-11/h11-15H,1-10H2,(H,17,19)/t12-,13-,14+,15+/m0/s1
InChIKeyUECUMBNRNIDJOK-BYNSBNAKSA-N
MW262.40 g/mol
LogP2.02
Rot. Bonds4

About (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98790786) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98790786
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H26N2O/c19-16(15-8-12-3-4-13(15)7-12)17-14-5-6-18(10-14)9-11-1-2-11/h11-15H,1-10H2,(H,17,19)/t12-,13-,14+,15+/m0/s1
InChIKeyUECUMBNRNIDJOK-BYNSBNAKSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
CID 146427444
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
CID 167806185
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854201
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431139
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98790786) is (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UECUMBNRNIDJOK-BYNSBNAKSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(15-8-12-3-4-13(15)7-12)17-14-5-6-18(10-14)9-11-1-2-11/h11-15H,1-10H2,(H,17,19)/t12-,13-,14+,15+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98790786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).