4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide

C19H33N5O2 — CID 70020534

IUPAC4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(NCC(=O)N2CCC[C@H]2C#N)CC1)C(C)C
InChIInChI=1S/C19H33N5O2/c1-14(2)24(15(3)4)19(26)22-10-7-16(8-11-22)21-13-18(25)23-9-5-6-17(23)12-20/h14-17,21H,5-11,13H2,1-4H3/t17-/m0/s1
InChIKeyRUBNDCPZMJROQB-KRWDZBQOSA-N
MW363.51 g/mol
LogP1.79
Rot. Bonds5

About 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide

4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide (PubChem CID 70020534) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
PubChem CID70020534
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(NCC(=O)N2CCC[C@H]2C#N)CC1)C(C)C
InChIInChI=1S/C19H33N5O2/c1-14(2)24(15(3)4)19(26)22-10-7-16(8-11-22)21-13-18(25)23-9-5-6-17(23)12-20/h14-17,21H,5-11,13H2,1-4H3/t17-/m0/s1
InChIKeyRUBNDCPZMJROQB-KRWDZBQOSA-N
XLogP1.79
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide (CID 70020534) is 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide is CC(C)N(C(=O)N1CCC(NCC(=O)N2CCC[C@H]2C#N)CC1)C(C)C.
What is the InChIKey of 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide?
The InChIKey is RUBNDCPZMJROQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-14(2)24(15(3)4)19(26)22-10-7-16(8-11-22)21-13-18(25)23-9-5-6-17(23)12-20/h14-17,21H,5-11,13H2,1-4H3/t17-/m0/s1.
What are the key properties of 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide?
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N,N-di(propan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 70020534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).