(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

C30H43N5O — CID 45488915

IUPAC(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N2C[C@@H](NCc3ccc4c(c3)c3ccccc3n4CC)C[C@H]2C(=O)NCC)CC1
InChIInChI=1S/C30H43N5O/c1-4-15-33-16-13-24(14-17-33)35-21-23(19-29(35)30(36)31-5-2)32-20-22-11-12-28-26(18-22)25-9-7-8-10-27(25)34(28)6-3/h7-12,18,23-24,29,32H,4-6,13-17,19-21H2,1-3H3,(H,31,36)/t23-,29-/m0/s1
InChIKeyLVNKLODVAUUNBK-IADCTJSHSA-N
MW489.71 g/mol
LogP4.36
Rot. Bonds9

About (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 45488915) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID45488915
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC Name(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N2C[C@@H](NCc3ccc4c(c3)c3ccccc3n4CC)C[C@H]2C(=O)NCC)CC1
InChIInChI=1S/C30H43N5O/c1-4-15-33-16-13-24(14-17-33)35-21-23(19-29(35)30(36)31-5-2)32-20-22-11-12-28-26(18-22)25-9-7-8-10-27(25)34(28)6-3/h7-12,18,23-24,29,32H,4-6,13-17,19-21H2,1-3H3,(H,31,36)/t23-,29-/m0/s1
InChIKeyLVNKLODVAUUNBK-IADCTJSHSA-N
XLogP4.36
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.71
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 45488915) is (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide is CCCN1CCC(N2C[C@@H](NCc3ccc4c(c3)c3ccccc3n4CC)C[C@H]2C(=O)NCC)CC1.
What is the InChIKey of (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is LVNKLODVAUUNBK-IADCTJSHSA-N. The full InChI is InChI=1S/C30H43N5O/c1-4-15-33-16-13-24(14-17-33)35-21-23(19-29(35)30(36)31-5-2)32-20-22-11-12-28-26(18-22)25-9-7-8-10-27(25)34(28)6-3/h7-12,18,23-24,29,32H,4-6,13-17,19-21H2,1-3H3,(H,31,36)/t23-,29-/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 489.71 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-4-[(9-ethylcarbazol-3-yl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45488915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).