cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone

C18H28N4O3 — CID 11573828

IUPACcyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C(=O)[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H28N4O3/c23-16(13-3-4-13)21-7-9-22(10-8-21)17(24)14-11-15(19-12-14)18(25)20-5-1-2-6-20/h13-15,19H,1-12H2/t14-,15-/m0/s1
InChIKeyGSCJFYDGHNBEOX-GJZGRUSLSA-N
MW348.45 g/mol
LogP-0.33
Rot. Bonds3

About cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 11573828) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID11573828
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Namecyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(C(=O)[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C18H28N4O3/c23-16(13-3-4-13)21-7-9-22(10-8-21)17(24)14-11-15(19-12-14)18(25)20-5-1-2-6-20/h13-15,19H,1-12H2/t14-,15-/m0/s1
InChIKeyGSCJFYDGHNBEOX-GJZGRUSLSA-N
XLogP-0.33
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]carbonyl}pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23645915
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N,N-dimethyl-3-pyrrolidinecarboxamide
CID 11288538
H-DL-Pyr-DL-Leu-DL-Leu-DL-Pro-NH2
CID 3103042
(2S)-1-{[(2S,4S,5S)-5-methyl-4-(1-piperidinylcarbonyl)-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 11313182
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N-ethyl-N-methyl-3-pyrrolidinecarboxamide
CID 11448828
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-3-pyrrolidinecarboxamide
CID 44429612
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N-methyl-3-pyrrolidinecarboxamide
CID 44429613
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N-ethyl-3-pyrrolidinecarboxamide
CID 44429614
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N-propyl-3-pyrrolidinecarboxamide
CID 44429616
(3S,5S)-5-{[(2S)-2-cyano-1-pyrrolidinyl]carbonyl}-N,N-diethyl-3-pyrrolidinecarboxamide
CID 44429619
(2S)-1-{[(2S,4S)-4-(1-piperidinylcarbonyl)-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 44429622
(3S,5S)-N,N-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
CID 44456310

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone (CID 11573828) is cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(C(=O)[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is GSCJFYDGHNBEOX-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N4O3/c23-16(13-3-4-13)21-7-9-22(10-8-21)17(24)14-11-15(19-12-14)18(25)20-5-1-2-6-20/h13-15,19H,1-12H2/t14-,15-/m0/s1.
What are the key properties of cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 11573828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).