tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate

C28H40N4O2 — CID 67996554

IUPACtert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate
SMILESCN(C)CCCn1c2ccccc2c2cc(CN3CCCC(NC(=O)OC(C)(C)C)C3)ccc21
InChIInChI=1S/C28H40N4O2/c1-28(2,3)34-27(33)29-22-10-8-16-31(20-22)19-21-13-14-26-24(18-21)23-11-6-7-12-25(23)32(26)17-9-15-30(4)5/h6-7,11-14,18,22H,8-10,15-17,19-20H2,1-5H3,(H,29,33)
InChIKeyKIGNEQYOPKXWAL-UHFFFAOYSA-N
MW464.65 g/mol
LogP5.24
Rot. Bonds7

About tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate (PubChem CID 67996554) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate
PubChem CID67996554
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Nametert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate
SMILESCN(C)CCCn1c2ccccc2c2cc(CN3CCCC(NC(=O)OC(C)(C)C)C3)ccc21
InChIInChI=1S/C28H40N4O2/c1-28(2,3)34-27(33)29-22-10-8-16-31(20-22)19-21-13-14-26-24(18-21)23-11-6-7-12-25(23)32(26)17-9-15-30(4)5/h6-7,11-14,18,22H,8-10,15-17,19-20H2,1-5H3,(H,29,33)
InChIKeyKIGNEQYOPKXWAL-UHFFFAOYSA-N
XLogP5.24
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-amine
CID 67996165
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R)-1-[(4-bromo-3,5-dimethylphenyl)methyl]piperidin-3-yl]carbamate
CID 170919239
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
tert-butyl N-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]carbamate
CID 99834176
1-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]naphthalen-1-yl]ethyl N-[1-[(9-ethylcarbazol-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 11628735
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
tert-butyl N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75993992
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate (CID 67996554) is tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate is CN(C)CCCn1c2ccccc2c2cc(CN3CCCC(NC(=O)OC(C)(C)C)C3)ccc21.
What is the InChIKey of tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate?
The InChIKey is KIGNEQYOPKXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-28(2,3)34-27(33)29-22-10-8-16-31(20-22)19-21-13-14-26-24(18-21)23-11-6-7-12-25(23)32(26)17-9-15-30(4)5/h6-7,11-14,18,22H,8-10,15-17,19-20H2,1-5H3,(H,29,33).
What are the key properties of tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate has a molecular weight of 464.65 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[9-[3-(dimethylamino)propyl]carbazol-3-yl]methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 67996554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).